3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid

C14H9BrClNO4 — CID 106500377

IUPAC3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2cc(O)ccc2Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-8-3-7(14(20)21)4-9(5-8)17-13(19)11-6-10(18)1-2-12(11)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyMPJYPRGBNRWXNW-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.76
Rot. Bonds3

About 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid

3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid (PubChem CID 106500377) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
PubChem CID106500377
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2cc(O)ccc2Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-8-3-7(14(20)21)4-9(5-8)17-13(19)11-6-10(18)1-2-12(11)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyMPJYPRGBNRWXNW-UHFFFAOYSA-N
XLogP3.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729450
3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971617
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
2-chloro-N-(2,5-dibromophenyl)-5-hydroxybenzamide
CID 106501529
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-chloro-N-(2,4-dibromophenyl)-5-hydroxybenzamide
CID 106501538
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
3-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669874
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid (CID 106500377) is 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1cc(Br)cc(NC(=O)c2cc(O)ccc2Cl)c1.
What is the InChIKey of 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is MPJYPRGBNRWXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-8-3-7(14(20)21)4-9(5-8)17-13(19)11-6-10(18)1-2-12(11)16/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 370.59 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 106500377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).