2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid

C14H11F2NO2 — CID 106699613

IUPAC2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2ccccc2F)cc1F
InChIInChI=1S/C14H11F2NO2/c15-11-3-1-2-4-13(11)17-8-9-5-6-10(14(18)19)12(16)7-9/h1-7,17H,8H2,(H,18,19)
InChIKeyYAWFEURBWKRYRE-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.28
Rot. Bonds4

About 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid

2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid (PubChem CID 106699613) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
PubChem CID106699613
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2ccccc2F)cc1F
InChIInChI=1S/C14H11F2NO2/c15-11-3-1-2-4-13(11)17-8-9-5-6-10(14(18)19)12(16)7-9/h1-7,17H,8H2,(H,18,19)
InChIKeyYAWFEURBWKRYRE-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyanoanilino)methyl]-2-fluorobenzoic acid
CID 106699568
2-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 43322141
4-[(2-chloro-4-iodoanilino)methyl]-2-fluorobenzoic acid
CID 107607122
methyl 2-fluoro-4-[(2-methylanilino)methyl]benzoate
CID 106699598
2,4-difluoro-5-[(3-fluoro-4-methylphenyl)methylamino]benzoic acid
CID 63646043
methyl 4-[(2-bromoanilino)methyl]-2-fluorobenzoate
CID 106699571
4-[(3-ethylanilino)methyl]-2-fluorobenzoic acid
CID 106699642
4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
CID 170564867
2-fluoro-4-[[(3-fluorophenyl)methylamino]methyl]benzoic acid
CID 106699660
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
2-fluoro-4-[(3,3,3-trifluoropropylamino)methyl]benzoic acid
CID 106700026
2-fluoro-4-[(2-fluorophenyl)sulfinylmethyl]benzoic acid
CID 106700602

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid (CID 106699613) is 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid is O=C(O)c1ccc(CNc2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid?
The InChIKey is YAWFEURBWKRYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-11-3-1-2-4-13(11)17-8-9-5-6-10(14(18)19)12(16)7-9/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid?
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid has a molecular weight of 263.24 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid is sourced from PubChem (CID 106699613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).