4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid

C16H14FNO3 — CID 63189869

IUPAC4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C16H14FNO3/c1-9-3-4-10(2)12(7-9)15(19)18-14-6-5-11(16(20)21)8-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyVVYZXXANBSEQAP-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.39
Rot. Bonds3

About 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid

4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 63189869) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
PubChem CID63189869
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C16H14FNO3/c1-9-3-4-10(2)12(7-9)15(19)18-14-6-5-11(16(20)21)8-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyVVYZXXANBSEQAP-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

3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid (CID 63189869) is 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid is Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)O)cc2F)c1.
What is the InChIKey of 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is VVYZXXANBSEQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-3-4-10(2)12(7-9)15(19)18-14-6-5-11(16(20)21)8-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic 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 4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63189869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).