2-fluoro-3-[(N-methylanilino)methyl]benzoic acid

C15H14FNO2 — CID 107119323

IUPAC2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
SMILESCN(Cc1cccc(C(=O)O)c1F)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-17(12-7-3-2-4-8-12)10-11-6-5-9-13(14(11)16)15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyZDCFMIJTHNXIHN-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.16
Rot. Bonds4

About 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid

2-fluoro-3-[(N-methylanilino)methyl]benzoic acid (PubChem CID 107119323) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
PubChem CID107119323
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
SMILESCN(Cc1cccc(C(=O)O)c1F)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-17(12-7-3-2-4-8-12)10-11-6-5-9-13(14(11)16)15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyZDCFMIJTHNXIHN-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-[(N-methylanilino)methyl]benzenecarboximidamide
CID 107117715
2-fluoro-3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 107119523
2-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid
CID 107119366
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-fluorobenzoic acid
CID 107119400
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-fluorobenzoic acid
CID 107119372
2-fluoro-3-[[methyl(oxan-4-ylmethyl)amino]methyl]benzoic acid
CID 107119509
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
3-[(N,4-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116552
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoic acid
CID 107119511
methyl 2-[(3-fluoro-N-methylanilino)methyl]benzoate
CID 82969804

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid?
The IUPAC name of 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid (CID 107119323) is 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid is CN(Cc1cccc(C(=O)O)c1F)c1ccccc1.
What is the InChIKey of 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid?
The InChIKey is ZDCFMIJTHNXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-17(12-7-3-2-4-8-12)10-11-6-5-9-13(14(11)16)15(18)19/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid?
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(N-methylanilino)methyl]benzoic acid is sourced from PubChem (CID 107119323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).