4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid

C15H11BrClNO3 — CID 107997716

IUPAC4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H11BrClNO3/c1-8-6-10(15(20)21)3-5-13(8)18-14(19)9-2-4-12(17)11(16)7-9/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyBTESMYRPMSHJHZ-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.36
Rot. Bonds3

About 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid

4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid (PubChem CID 107997716) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
PubChem CID107997716
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H11BrClNO3/c1-8-6-10(15(20)21)3-5-13(8)18-14(19)9-2-4-12(17)11(16)7-9/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyBTESMYRPMSHJHZ-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-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid (CID 107997716) is 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is BTESMYRPMSHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c1-8-6-10(15(20)21)3-5-13(8)18-14(19)9-2-4-12(17)11(16)7-9/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid?
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic 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-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 107997716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).