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

C16H14BrNO3 — CID 81110247

IUPAC4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(C(=O)O)c(C)c2)c1
InChIInChI=1S/C16H14BrNO3/c1-9-3-6-14(17)13(7-9)15(19)18-11-4-5-12(16(20)21)10(2)8-11/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXLWSPFQBZQIYOG-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.02
Rot. Bonds3

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

4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid (PubChem CID 81110247) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
PubChem CID81110247
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(C(=O)O)c(C)c2)c1
InChIInChI=1S/C16H14BrNO3/c1-9-3-6-14(17)13(7-9)15(19)18-11-4-5-12(16(20)21)10(2)8-11/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXLWSPFQBZQIYOG-UHFFFAOYSA-N
XLogP4.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid (CID 81110247) is 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid is Cc1ccc(Br)c(C(=O)Nc2ccc(C(=O)O)c(C)c2)c1.
What is the InChIKey of 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is XLWSPFQBZQIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-9-3-6-14(17)13(7-9)15(19)18-11-4-5-12(16(20)21)10(2)8-11/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid?
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 348.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 81110247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).