2-anilino-2-(4-fluorophenyl)acetonitrile

C14H11FN2 — CID 11615526

IUPAC2-anilino-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2/c15-12-8-6-11(7-9-12)14(10-16)17-13-4-2-1-3-5-13/h1-9,14,17H
InChIKeyRUSAUHYRWSMDJT-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.50
Rot. Bonds3

About 2-anilino-2-(4-fluorophenyl)acetonitrile

2-anilino-2-(4-fluorophenyl)acetonitrile (PubChem CID 11615526) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-anilino-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(4-fluorophenyl)acetonitrile
PubChem CID11615526
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-anilino-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2/c15-12-8-6-11(7-9-12)14(10-16)17-13-4-2-1-3-5-13/h1-9,14,17H
InChIKeyRUSAUHYRWSMDJT-UHFFFAOYSA-N
XLogP3.50
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-anilino-2-(4-fluorophenyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzylaniline
CID 66028
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
N-(2-Cyanophenyl)piperazine
CID 2735875
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Despropionyl meta-fluorofentanyl
CID 23741730
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
3-Fluoro-4-piperazin-1-yl-benzonitrile
CID 596113
2-(Benzylamino)benzonitrile
CID 324787
4-Anilino-1-benzylpiperidine-4-carbonitrile
CID 70412
N-benzyl-4-methylaniline
CID 79403

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(4-fluorophenyl)acetonitrile (CID 11615526) is 2-anilino-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(4-fluorophenyl)acetonitrile is N#CC(Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-anilino-2-(4-fluorophenyl)acetonitrile?
The InChIKey is RUSAUHYRWSMDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-12-8-6-11(7-9-12)14(10-16)17-13-4-2-1-3-5-13/h1-9,14,17H.
What are the key properties of 2-anilino-2-(4-fluorophenyl)acetonitrile?
2-anilino-2-(4-fluorophenyl)acetonitrile has a molecular weight of 226.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 11615526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).