2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid

C14H11F2NO2 — CID 79522747

IUPAC2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
SMILESO=C(O)c1c(F)cccc1NCc1cccc(F)c1
InChIInChI=1S/C14H11F2NO2/c15-10-4-1-3-9(7-10)8-17-12-6-2-5-11(16)13(12)14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyXEWCPVUXSKAMTB-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.28
Rot. Bonds4

About 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid

2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid (PubChem CID 79522747) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
PubChem CID79522747
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
SMILESO=C(O)c1c(F)cccc1NCc1cccc(F)c1
InChIInChI=1S/C14H11F2NO2/c15-10-4-1-3-9(7-10)8-17-12-6-2-5-11(16)13(12)14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyXEWCPVUXSKAMTB-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

2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809
3-[(2-carbamoyl-3-fluoroanilino)methyl]benzoic acid
CID 79515578
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
2,3-difluoro-4-[(3-fluorophenyl)methylamino]benzoic acid
CID 79837694
2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
2-bromo-6-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 114887963
5-amino-2-[(3-fluorophenyl)methylamino]benzoic acid
CID 54887767
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
2-bromo-6-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 114887893
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-[(4,5-dimethylthiophen-2-yl)methylamino]-6-fluorobenzoic acid
CID 79511756

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid (CID 79522747) is 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid is O=C(O)c1c(F)cccc1NCc1cccc(F)c1.
What is the InChIKey of 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid?
The InChIKey is XEWCPVUXSKAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-4-1-3-9(7-10)8-17-12-6-2-5-11(16)13(12)14(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid?
2-fluoro-6-[(3-fluorophenyl)methylamino]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-6-[(3-fluorophenyl)methylamino]benzoic acid is sourced from PubChem (CID 79522747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).