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

C16H14FNO3 — CID 62515827

IUPAC2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-9-3-5-13(17)11(7-9)15(19)18-14-6-4-10(2)8-12(14)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyCZJGBOJBCHVWAO-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.39
Rot. Bonds3

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

2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid (PubChem CID 62515827) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
PubChem CID62515827
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C16H14FNO3/c1-9-3-5-13(17)11(7-9)15(19)18-14-6-4-10(2)8-12(14)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyCZJGBOJBCHVWAO-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

2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid (CID 62515827) is 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid is Cc1ccc(F)c(C(=O)Nc2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid?
The InChIKey is CZJGBOJBCHVWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-3-5-13(17)11(7-9)15(19)18-14-6-4-10(2)8-12(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]-5-methylbenzoic acid?
2-[(2-fluoro-5-methylbenzoyl)amino]-5-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]-5-methylbenzoic acid is sourced from PubChem (CID 62515827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).