4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid

C14H9BrClNO4 — CID 107937789

IUPAC4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Br)c2)c(O)c1
InChIInChI=1S/C14H9BrClNO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyKTOSPNFJADRVCE-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.76
Rot. Bonds3

About 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid

4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid (PubChem CID 107937789) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
PubChem CID107937789
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Br)c2)c(O)c1
InChIInChI=1S/C14H9BrClNO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyKTOSPNFJADRVCE-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

4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid (CID 107937789) is 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid is O=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Br)c2)c(O)c1.
What is the InChIKey of 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid?
The InChIKey is KTOSPNFJADRVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid?
4-[(3-bromo-5-chlorobenzoyl)amino]-3-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 4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 107937789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).