4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid

C15H12BrNO4 — CID 107812589

IUPAC4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Br)c1O
InChIInChI=1S/C15H12BrNO4/c1-8-3-2-4-10(13(8)18)14(19)17-12-7-9(15(20)21)5-6-11(12)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyVKVBIXIJSPMNKI-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds3

About 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid

4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid (PubChem CID 107812589) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
PubChem CID107812589
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Br)c1O
InChIInChI=1S/C15H12BrNO4/c1-8-3-2-4-10(13(8)18)14(19)17-12-7-9(15(20)21)5-6-11(12)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyVKVBIXIJSPMNKI-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

2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
CID 107812622
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
CID 107789633
3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
CID 28668607
4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid
CID 107812487
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
4-bromo-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 107812493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid (CID 107812589) is 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid is Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Br)c1O.
What is the InChIKey of 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
The InChIKey is VKVBIXIJSPMNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-3-2-4-10(13(8)18)14(19)17-12-7-9(15(20)21)5-6-11(12)16/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
4-bromo-3-[(2-hydroxy-3-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 4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 107812589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).