5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid

C15H12BrNO4 — CID 104850638

IUPAC5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C15H12BrNO4/c1-8-4-9(6-10(16)5-8)14(19)17-11-2-3-13(18)12(7-11)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBTWALQYMAQYTBH-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds3

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

5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 104850638) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID104850638
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C15H12BrNO4/c1-8-4-9(6-10(16)5-8)14(19)17-11-2-3-13(18)12(7-11)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBTWALQYMAQYTBH-UHFFFAOYSA-N
XLogP3.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
3-[(3-bromo-5-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 104850800
methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43353119
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 138042482
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid (CID 104850638) is 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid is Cc1cc(Br)cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is BTWALQYMAQYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-4-9(6-10(16)5-8)14(19)17-11-2-3-13(18)12(7-11)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid?
5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 350.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104850638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).