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Phthalanilide - >98.0%(HPLC)(N), high purity , CAS No.16497-41-9
Discover Phthalanilide by Aladdin Scientific in >98.0%(HPLC)(N) for only $368.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
Phthalanilide | N,N'-Diphenylphthaldiamide | DTXSID80167827 | 1,2-Benzenedicarboxamide, N1,N2-diphenyl- | Phthaldianilide | CL-28730 | FT-0723380 | BS-21654 | EINECS 240-564-7 | N1,N2-diphenylbenzene-1,2-dicarboxamide | 1,2-Benzenedicarboxamide, N,N'-diph
Specifications & Purity
≥98%(HPLC)(N)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides
Direct Parent
Benzanilides
Alternative Parents
Benzamides Benzoyl derivatives Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzanilide - Benzoic acid or derivatives - Benzamide - Benzoyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1-N,2-N-diphenylbenzene-1,2-dicarboxamide
INCHI
InChI=1S/C20H16N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-14H,(H,21,23)(H,22,24)
InChIKey
ZYACJWRVLBPZNG-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)NC3=CC=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)NC3=CC=CC=C3
PubChem CID
85459
Molecular Weight
316.36
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
316.400 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
316.121 Da
Monoisotopic Mass
316.121 Da
Topological Polar Surface Area
58.200 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
385.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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