2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid

C14H10BrNO4 — CID 882256

IUPAC2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C14H10BrNO4/c15-9-3-1-2-8(6-9)13(18)16-12-5-4-10(17)7-11(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyRTWXTCVRZFFJIJ-UHFFFAOYSA-N
MW336.14 g/mol
LogP3.11
Rot. Bonds3

About 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid

2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid (PubChem CID 882256) has the molecular formula C14H10BrNO4 and a molecular weight of 336.14 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid
PubChem CID882256
Molecular FormulaC14H10BrNO4
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C14H10BrNO4/c15-9-3-1-2-8(6-9)13(18)16-12-5-4-10(17)7-11(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyRTWXTCVRZFFJIJ-UHFFFAOYSA-N
XLogP3.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic 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

Avenanthramide A
CID 5281157
2-(((E)-3-(4-hydroxyphenyl)prop-2-enoyl)amino)benzoic acid
CID 6443019
Avenanthramide C
CID 11723200
5-Hydroxy-2-(((2E,4E)-5-(4-hydroxyphenyl)-1-oxo-2,4-pentadien-1-yl)amino)benzoic acid
CID 101688490
2-[(2-Hydroxybenzoyl)amino]benzoic acid
CID 459348
5-Hydroxy-2-[(3-methylbenzoyl)amino]benzoic acid
CID 756067
5-Bromo-2-[(3-hydroxybenzoyl)amino]benzoic acid
CID 60008666
5-Hydroxyflufenamic acid
CID 161992
2-Acetamido-5-bromobenzoic Acid
CID 520935
Dihydroavenanthramide D
CID 10334118
2-(4-Bromo-3-phenoxybenzoylamino)benzoic acid
CID 11441298
5-Bromo-2-[(3-octoxybenzoyl)amino]benzoic acid
CID 91970408

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid (CID 882256) is 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid?
The InChIKey is RTWXTCVRZFFJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4/c15-9-3-1-2-8(6-9)13(18)16-12-5-4-10(17)7-11(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid?
2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid has a molecular weight of 336.14 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromobenzoyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 882256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).