2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid

C15H12BrNO4 — CID 115295861

IUPAC2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(O)c(C(=O)Nc2ccc(Br)c(C(=O)O)c2)c1
InChIInChI=1S/C15H12BrNO4/c1-8-2-5-13(18)11(6-8)14(19)17-9-3-4-12(16)10(7-9)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBXJBOSRDBHPQSD-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds3

About 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid

2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid (PubChem CID 115295861) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
PubChem CID115295861
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(O)c(C(=O)Nc2ccc(Br)c(C(=O)O)c2)c1
InChIInChI=1S/C15H12BrNO4/c1-8-2-5-13(18)11(6-8)14(19)17-9-3-4-12(16)10(7-9)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBXJBOSRDBHPQSD-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

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Related Compounds

4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
2-bromo-5-[(4-methylphenyl)carbamoylamino]benzoic acid
CID 115295945
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 104850638
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid (CID 115295861) is 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid is Cc1ccc(O)c(C(=O)Nc2ccc(Br)c(C(=O)O)c2)c1.
What is the InChIKey of 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid?
The InChIKey is BXJBOSRDBHPQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-2-5-13(18)11(6-8)14(19)17-9-3-4-12(16)10(7-9)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid?
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic 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 2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 115295861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).