3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid

C14H9BrClNO4 — CID 104832839

IUPAC3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-9-5-4-7(6-10(9)16)13(19)17-11-3-1-2-8(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyNKFOREMJOFOMPV-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.76
Rot. Bonds3

About 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid

3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 104832839) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID104832839
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H9BrClNO4/c15-9-5-4-7(6-10(9)16)13(19)17-11-3-1-2-8(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyNKFOREMJOFOMPV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 81295178
4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
2-[[(Z)-3-(4-bromo-3-chlorophenyl)but-2-enoyl]amino]benzoic acid
CID 68881859
3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
CID 113458385
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid (CID 104832839) is 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is NKFOREMJOFOMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-9-5-4-7(6-10(9)16)13(19)17-11-3-1-2-8(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic 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-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104832839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).