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

C16H14BrNO3 — CID 63113012

IUPAC3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Br)cccc2C(=O)O)c(C)c1
InChIInChI=1S/C16H14BrNO3/c1-9-6-7-11(10(2)8-9)15(19)18-14-12(16(20)21)4-3-5-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyCTCWBLXSLMGCFO-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.02
Rot. Bonds3

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

3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid (PubChem CID 63113012) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
PubChem CID63113012
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Br)cccc2C(=O)O)c(C)c1
InChIInChI=1S/C16H14BrNO3/c1-9-6-7-11(10(2)8-9)15(19)18-14-12(16(20)21)4-3-5-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyCTCWBLXSLMGCFO-UHFFFAOYSA-N
XLogP4.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802679
3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
CID 63112414
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid
CID 107721654
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
2-[(2-amino-3-bromobenzoyl)amino]-5-methylbenzoic acid
CID 110451428
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
3-bromo-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 63113008
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid (CID 63113012) is 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2c(Br)cccc2C(=O)O)c(C)c1.
What is the InChIKey of 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid?
The InChIKey is CTCWBLXSLMGCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-9-6-7-11(10(2)8-9)15(19)18-14-12(16(20)21)4-3-5-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid?
3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid has a molecular weight of 348.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63113012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).