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

C16H14FNO3 — CID 62514246

IUPAC2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
SMILESCc1ccc(F)c(C(=O)N(C)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-10-7-8-13(17)12(9-10)15(19)18(2)14-6-4-3-5-11(14)16(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyNALJRKGEWVNQOQ-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.11
Rot. Bonds3

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

2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid (PubChem CID 62514246) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
PubChem CID62514246
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
SMILESCc1ccc(F)c(C(=O)N(C)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-10-7-8-13(17)12(9-10)15(19)18(2)14-6-4-3-5-11(14)16(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyNALJRKGEWVNQOQ-UHFFFAOYSA-N
XLogP3.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.11
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-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
2-fluoro-N,5-dimethyl-N-pyridin-2-ylbenzamide
CID 62510228
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
2-[[difluoro-(2-fluoro-4-methylphenyl)methyl]-fluoroamino]benzoic acid
CID 87848457
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040
2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 62511119
2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
CID 43823107
2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
CID 103513102

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid (CID 62514246) is 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid is Cc1ccc(F)c(C(=O)N(C)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid?
The InChIKey is NALJRKGEWVNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-7-8-13(17)12(9-10)15(19)18(2)14-6-4-3-5-11(14)16(20)21/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid?
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid has a molecular weight of 287.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid is sourced from PubChem (CID 62514246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).