2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile

C21H17FN2 — CID 59412400

IUPAC2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(NC(c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)20(15-23)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21,24H
InChIKeyORSDMUNNXAMWIM-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.77
Rot. Bonds5

About 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile

2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile (PubChem CID 59412400) has the molecular formula C21H17FN2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
PubChem CID59412400
Molecular FormulaC21H17FN2
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(NC(c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)20(15-23)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21,24H
InChIKeyORSDMUNNXAMWIM-UHFFFAOYSA-N
XLogP4.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(benzhydrylamino)-2-(2-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

(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile
CID 57413320
[(2-fluorophenyl)-phenylmethyl]hydrazine
CID 53402124
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
(2R)-2-(benzhydrylamino)-2-(furan-2-yl)acetonitrile
CID 11818553
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile
CID 62354655
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-fluoro-2-(2-fluorophenyl)acetonitrile
CID 53400325
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
1-[(S)-(2-fluorophenyl)-phenylmethyl]-3-[(R)-(2-fluorophenyl)-phenylmethyl]urea
CID 2249543

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile?
The IUPAC name of 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile (CID 59412400) is 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile is N#CC(NC(c1ccccc1)c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile?
The InChIKey is ORSDMUNNXAMWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)20(15-23)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21,24H.
What are the key properties of 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile?
2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile has a molecular weight of 316.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile is sourced from PubChem (CID 59412400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).