2-(2,5-dimethylanilino)-3-fluorobenzoic acid

C15H14FNO2 — CID 63538460

IUPAC2-(2,5-dimethylanilino)-3-fluorobenzoic acid
SMILESCc1ccc(C)c(Nc2c(F)cccc2C(=O)O)c1
InChIInChI=1S/C15H14FNO2/c1-9-6-7-10(2)13(8-9)17-14-11(15(18)19)4-3-5-12(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyDNHZBMSHDUYKCS-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.88
Rot. Bonds3

About 2-(2,5-dimethylanilino)-3-fluorobenzoic acid

2-(2,5-dimethylanilino)-3-fluorobenzoic acid (PubChem CID 63538460) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-3-fluorobenzoic acid
PubChem CID63538460
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-(2,5-dimethylanilino)-3-fluorobenzoic acid
SMILESCc1ccc(C)c(Nc2c(F)cccc2C(=O)O)c1
InChIInChI=1S/C15H14FNO2/c1-9-6-7-10(2)13(8-9)17-14-11(15(18)19)4-3-5-12(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyDNHZBMSHDUYKCS-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 63538858
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
N-(2,6-difluorophenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127605
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
CID 110453077
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-3-fluorobenzoic acid?
The IUPAC name of 2-(2,5-dimethylanilino)-3-fluorobenzoic acid (CID 63538460) is 2-(2,5-dimethylanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(2,5-dimethylanilino)-3-fluorobenzoic acid?
The canonical SMILES for 2-(2,5-dimethylanilino)-3-fluorobenzoic acid is Cc1ccc(C)c(Nc2c(F)cccc2C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-3-fluorobenzoic acid?
The InChIKey is DNHZBMSHDUYKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-9-6-7-10(2)13(8-9)17-14-11(15(18)19)4-3-5-12(14)16/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylanilino)-3-fluorobenzoic acid?
2-(2,5-dimethylanilino)-3-fluorobenzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 63538460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).