2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid

C15H14FNO2 — CID 79522270

IUPAC2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2cccc(F)c2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(16)14(13)15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyVXIDQYRRLNQWIC-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.44
Rot. Bonds4

About 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid

2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid (PubChem CID 79522270) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
PubChem CID79522270
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2cccc(F)c2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(16)14(13)15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyVXIDQYRRLNQWIC-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

2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
2-[(4,5-dimethylthiophen-2-yl)methylamino]-6-fluorobenzoic acid
CID 79511756
2-fluoro-6-(prop-2-ynylamino)benzoic acid
CID 79522669
5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 63673662
2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid (CID 79522270) is 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid is Cc1ccc(CNc2cccc(F)c2C(=O)O)cc1.
What is the InChIKey of 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid?
The InChIKey is VXIDQYRRLNQWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(16)14(13)15(18)19/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid?
2-fluoro-6-[(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 2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid is sourced from PubChem (CID 79522270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).