2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile

C14H10ClFN2 — CID 54886838

IUPAC2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
SMILESN#CC(Nc1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClFN2/c15-13-7-2-1-6-12(13)14(9-17)18-11-5-3-4-10(16)8-11/h1-8,14,18H
InChIKeyUXGCZMLAYIQGQH-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.16
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile

2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile (PubChem CID 54886838) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
PubChem CID54886838
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
SMILESN#CC(Nc1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClFN2/c15-13-7-2-1-6-12(13)14(9-17)18-11-5-3-4-10(16)8-11/h1-8,14,18H
InChIKeyUXGCZMLAYIQGQH-UHFFFAOYSA-N
XLogP4.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyano-(3-fluoroanilino)methyl]benzonitrile
CID 107936311
2-(1-benzothiophen-3-yl)-2-(3-fluoroanilino)acetonitrile
CID 62699810
(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile
CID 129394744
2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887260
4-[[(2-chlorophenyl)-cyanomethyl]amino]benzoic acid
CID 139219939
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457
2-(3,5-dimethoxyphenyl)-2-(3-fluoroanilino)acetonitrile
CID 60990264
2-(4-bromothiophen-2-yl)-2-(3-fluoroanilino)acetonitrile
CID 61346419
2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile
CID 62415277
2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686150
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile (CID 54886838) is 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile is N#CC(Nc1cccc(F)c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile?
The InChIKey is UXGCZMLAYIQGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-13-7-2-1-6-12(13)14(9-17)18-11-5-3-4-10(16)8-11/h1-8,14,18H.
What are the key properties of 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile?
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile has a molecular weight of 260.70 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile is sourced from PubChem (CID 54886838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).