4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid

C15H11BrClNO3 — CID 106860507

IUPAC4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H11BrClNO3/c1-8-2-4-10(12(17)6-8)14(19)18-13-7-9(16)3-5-11(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeySREWJKDBRVRUCE-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.36
Rot. Bonds3

About 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid

4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid (PubChem CID 106860507) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
PubChem CID106860507
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H11BrClNO3/c1-8-2-4-10(12(17)6-8)14(19)18-13-7-9(16)3-5-11(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeySREWJKDBRVRUCE-UHFFFAOYSA-N
XLogP4.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
CID 106509671
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
3-[(2-chloro-4-methylbenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106860696
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
CID 106860442
2-[(4-bromo-2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid (CID 106860507) is 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is SREWJKDBRVRUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c1-8-2-4-10(12(17)6-8)14(19)18-13-7-9(16)3-5-11(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid?
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid has a molecular weight of 368.61 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 106860507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).