4-(N,2-dimethylanilino)-2-fluorobenzoic acid

C15H14FNO2 — CID 113319816

IUPAC4-(N,2-dimethylanilino)-2-fluorobenzoic acid
SMILESCc1ccccc1N(C)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-5-3-4-6-14(10)17(2)11-7-8-12(15(18)19)13(16)9-11/h3-9H,1-2H3,(H,18,19)
InChIKeyMKFQHMZFIABQBR-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.60
Rot. Bonds3

About 4-(N,2-dimethylanilino)-2-fluorobenzoic acid

4-(N,2-dimethylanilino)-2-fluorobenzoic acid (PubChem CID 113319816) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-(N,2-dimethylanilino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(N,2-dimethylanilino)-2-fluorobenzoic acid
PubChem CID113319816
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-(N,2-dimethylanilino)-2-fluorobenzoic acid
SMILESCc1ccccc1N(C)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-5-3-4-6-14(10)17(2)11-7-8-12(15(18)19)13(16)9-11/h3-9H,1-2H3,(H,18,19)
InChIKeyMKFQHMZFIABQBR-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
4-fluoro-2-(N-methylanilino)benzoic acid
CID 83721799
4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
CID 62135800
2-fluoro-4-[methyl(pentan-3-yl)amino]benzoic acid
CID 115485310
2-fluoro-4-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 115485286
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-fluorobenzoic acid
CID 115485333
2-fluoro-4-[methyl-(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid
CID 129051954
2-amino-4-(N-ethyl-2-methylanilino)benzoic acid
CID 104500134
2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 107278693
4-(dibutylamino)-2-fluorobenzoic acid
CID 113319789

Frequently Asked Questions

What is the IUPAC name of 4-(N,2-dimethylanilino)-2-fluorobenzoic acid?
The IUPAC name of 4-(N,2-dimethylanilino)-2-fluorobenzoic acid (CID 113319816) is 4-(N,2-dimethylanilino)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(N,2-dimethylanilino)-2-fluorobenzoic acid?
The canonical SMILES for 4-(N,2-dimethylanilino)-2-fluorobenzoic acid is Cc1ccccc1N(C)c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(N,2-dimethylanilino)-2-fluorobenzoic acid?
The InChIKey is MKFQHMZFIABQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-5-3-4-6-14(10)17(2)11-7-8-12(15(18)19)13(16)9-11/h3-9H,1-2H3,(H,18,19).
What are the key properties of 4-(N,2-dimethylanilino)-2-fluorobenzoic acid?
4-(N,2-dimethylanilino)-2-fluorobenzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,2-dimethylanilino)-2-fluorobenzoic acid is sourced from PubChem (CID 113319816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).