2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid

C16H13BrN2O4 — CID 5181471

IUPAC2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C16H13BrN2O4/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(17)8-13(14)16(22)23/h2-8H,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyWCQZBXOIIKSXAM-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.36
Rot. Bonds4

About 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid

2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid (PubChem CID 5181471) has the molecular formula C16H13BrN2O4 and a molecular weight of 377.19 g/mol. Its IUPAC name is 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid.

Molecular Properties

Compound Name2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
PubChem CID5181471
Molecular FormulaC16H13BrN2O4
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Name2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C16H13BrN2O4/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(17)8-13(14)16(22)23/h2-8H,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyWCQZBXOIIKSXAM-UHFFFAOYSA-N
XLogP3.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic 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

[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid
CID 67418412
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 45340154

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid?
The IUPAC name of 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid (CID 5181471) is 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid.
What is the SMILES notation for 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid?
The canonical SMILES for 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid is CC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid?
The InChIKey is WCQZBXOIIKSXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(17)8-13(14)16(22)23/h2-8H,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid?
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid has a molecular weight of 377.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid is sourced from PubChem (CID 5181471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).