2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid

C15H12BrNO4 — CID 43241988

IUPAC2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1Br
InChIInChI=1S/C15H12BrNO4/c1-21-13-7-6-9(8-11(13)16)14(18)17-12-5-3-2-4-10(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyXCTAGFLRTPPBSZ-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds4

About 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid

2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid (PubChem CID 43241988) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
PubChem CID43241988
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1Br
InChIInChI=1S/C15H12BrNO4/c1-21-13-7-6-9(8-11(13)16)14(18)17-12-5-3-2-4-10(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyXCTAGFLRTPPBSZ-UHFFFAOYSA-N
XLogP3.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616000

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid (CID 43241988) is 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is XCTAGFLRTPPBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-21-13-7-6-9(8-11(13)16)14(18)17-12-5-3-2-4-10(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid?
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 350.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 43241988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).