2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid

C14H9BrClNO4 — CID 63405092

IUPAC2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Br)cc1O
InChIInChI=1S/C14H9BrClNO4/c15-7-1-3-9(12(18)5-7)13(19)17-11-4-2-8(16)6-10(11)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyYNNDQHHKNPPZPM-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.76
Rot. Bonds3

About 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid

2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid (PubChem CID 63405092) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
PubChem CID63405092
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Br)cc1O
InChIInChI=1S/C14H9BrClNO4/c15-7-1-3-9(12(18)5-7)13(19)17-11-4-2-8(16)6-10(11)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyYNNDQHHKNPPZPM-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

2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
CID 61405727
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide
CID 107798593
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid?
The IUPAC name of 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid (CID 63405092) is 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Br)cc1O.
What is the InChIKey of 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid?
The InChIKey is YNNDQHHKNPPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-7-1-3-9(12(18)5-7)13(19)17-11-4-2-8(16)6-10(11)14(20)21/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid?
2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic 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 2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid is sourced from PubChem (CID 63405092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).