N-[2-[3-Chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]-succinamic Acid (HCID 9845903)

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Basic information

Standard SMILES: Cc1ccccc1C(=O)c1ccc(Nc2ccccc2NC(=O)CCC(=O)O)cc1Cl
InChIKey: HRDJRILDJWUGPM-UHFFFAOYSA-N
Molecular formula: C24H21ClN2O4
Average molar mass: 436.9 g/mol

Names & identifiers

Preferred name: N-[2-[3-Chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]-succinamic Acid
IUPAC: 4-[2-[3-chloro-4-(2-methylbenzoyl)anilino]anilino]-4-oxobutanoic acid

Names & synonyms

SCHEMBL6095607SCHEMBL6095615HRDJRILDJWUGPM-UHFFFAOYSA-NN-(2-{[3-chloro-4-(2-methylbenzoyl)phenyl]amino}phenyl)-succinamic acidN-[2-[3-Chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]-succinamic Acid

Database identifiers

PubChem CID: 9845903

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 95.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 643

Related reactions

12 records

New reaction record

HRID 182537As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202728As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 413515As productuspto-grants-2003_05

HRID 690616As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1116280As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1200526As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1797316As reactantuspto-grants-2006_04

HRID 1797318As reactantuspto-grants-2006_04

Compound notes

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