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

C16H14FNO3 — CID 63189775

IUPAC4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C16H14FNO3/c1-9-5-10(2)7-12(6-9)15(19)18-14-4-3-11(16(20)21)8-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUGLMULKWTKHPJK-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.39
Rot. Bonds3

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

4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 63189775) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
PubChem CID63189775
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C16H14FNO3/c1-9-5-10(2)7-12(6-9)15(19)18-14-4-3-11(16(20)21)8-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUGLMULKWTKHPJK-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

4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid (CID 63189775) is 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid is Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)O)cc2F)c1.
What is the InChIKey of 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is UGLMULKWTKHPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-5-10(2)7-12(6-9)15(19)18-14-4-3-11(16(20)21)8-13(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid?
4-[(3,5-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-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63189775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).