3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid

C15H14FNO2 — CID 62648664

IUPAC3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2c(F)cccc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-10-5-7-11(8-6-10)9-17-14-12(15(18)19)3-2-4-13(14)16/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyAMMKBAMKOQALHY-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.44
Rot. Bonds4

About 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid

3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid (PubChem CID 62648664) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
PubChem CID62648664
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2c(F)cccc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-10-5-7-11(8-6-10)9-17-14-12(15(18)19)3-2-4-13(14)16/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyAMMKBAMKOQALHY-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid
CID 62649558
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
2-(1,3-benzodioxol-5-ylmethylamino)-3-fluorobenzoic acid
CID 62905244
2-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 107112483
3-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 63283837
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106400559
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
CID 62648491
3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
The IUPAC name of 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid (CID 62648664) is 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid is Cc1ccc(CNc2c(F)cccc2C(=O)O)cc1.
What is the InChIKey of 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
The InChIKey is AMMKBAMKOQALHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-5-7-11(8-6-10)9-17-14-12(15(18)19)3-2-4-13(14)16/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid is sourced from PubChem (CID 62648664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).