5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid

C16H14BrNO4 — CID 17296186

IUPAC5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C16H14BrNO4/c1-9-3-5-11(8-12(9)16(20)21)18-15(19)13-7-10(17)4-6-14(13)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyAEVKRDUSZGLONF-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.72
Rot. Bonds4

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

5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid (PubChem CID 17296186) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
PubChem CID17296186
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C16H14BrNO4/c1-9-3-5-11(8-12(9)16(20)21)18-15(19)13-7-10(17)4-6-14(13)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyAEVKRDUSZGLONF-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17094295
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
CID 28671790
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid (CID 17296186) is 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid is COc1ccc(Br)cc1C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is AEVKRDUSZGLONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-9-3-5-11(8-12(9)16(20)21)18-15(19)13-7-10(17)4-6-14(13)22-2/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid?
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 364.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 17296186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).