2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid

C16H14BrNO3 — CID 65306621

IUPAC2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
SMILESCc1ccc(Br)cc1C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C16H14BrNO3/c1-10-7-8-11(17)9-13(10)15(19)18(2)14-6-4-3-5-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyNLKSLWYJPVILNL-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.73
Rot. Bonds3

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

2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid (PubChem CID 65306621) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
PubChem CID65306621
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
SMILESCc1ccc(Br)cc1C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C16H14BrNO3/c1-10-7-8-11(17)9-13(10)15(19)18(2)14-6-4-3-5-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyNLKSLWYJPVILNL-UHFFFAOYSA-N
XLogP3.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
CID 82877765
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334775
2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
CID 43823107
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid (CID 65306621) is 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid is Cc1ccc(Br)cc1C(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid?
The InChIKey is NLKSLWYJPVILNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-10-7-8-11(17)9-13(10)15(19)18(2)14-6-4-3-5-12(14)16(20)21/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid?
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid has a molecular weight of 348.20 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid is sourced from PubChem (CID 65306621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).