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

C15H12BrNO4 — CID 107729335

IUPAC4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(Br)ccc2O)ccc1C(=O)O
InChIInChI=1S/C15H12BrNO4/c1-8-6-10(3-4-11(8)15(20)21)17-14(19)12-7-9(16)2-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyKFCRYAXKIBDUKW-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds3

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

4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid (PubChem CID 107729335) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
PubChem CID107729335
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(Br)ccc2O)ccc1C(=O)O
InChIInChI=1S/C15H12BrNO4/c1-8-6-10(3-4-11(8)15(20)21)17-14(19)12-7-9(16)2-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyKFCRYAXKIBDUKW-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

5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 5254471
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid (CID 107729335) is 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid is Cc1cc(NC(=O)c2cc(Br)ccc2O)ccc1C(=O)O.
What is the InChIKey of 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is KFCRYAXKIBDUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-6-10(3-4-11(8)15(20)21)17-14(19)12-7-9(16)2-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic 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 4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 107729335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).