2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid

C16H14FNO3 — CID 62515133

IUPAC2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2c(C)cccc2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-9-6-7-13(17)12(8-9)15(19)18-14-10(2)4-3-5-11(14)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPJTMJGUVPPPNLH-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid

2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid (PubChem CID 62515133) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
PubChem CID62515133
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2c(C)cccc2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-9-6-7-13(17)12(8-9)15(19)18-14-10(2)4-3-5-11(14)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPJTMJGUVPPPNLH-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 62509199
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
CID 63113012

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid (CID 62515133) is 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid is Cc1ccc(F)c(C(=O)Nc2c(C)cccc2C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is PJTMJGUVPPPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-6-7-13(17)12(8-9)15(19)18-14-10(2)4-3-5-11(14)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid?
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid has a molecular weight of 287.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 62515133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).