(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile

C15H13ClN2 — CID 10716423

IUPAC(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
SMILESN#C[C@@H](NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2/c16-14-8-6-13(7-9-14)15(10-17)18-11-12-4-2-1-3-5-12/h1-9,15,18H,11H2/t15-/m1/s1
InChIKeyXIWURKWOFJMTPC-OAHLLOKOSA-N
MW256.74 g/mol
LogP3.69
Rot. Bonds4

About (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile

(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile (PubChem CID 10716423) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
PubChem CID10716423
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
SMILESN#C[C@@H](NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2/c16-14-8-6-13(7-9-14)15(10-17)18-11-12-4-2-1-3-5-12/h1-9,15,18H,11H2/t15-/m1/s1
InChIKeyXIWURKWOFJMTPC-OAHLLOKOSA-N
XLogP3.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(benzylamino)-2-(4-chlorophenyl)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

(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
CID 25155800
(2R)-2-(benzylamino)-2-(4-nitrophenyl)acetonitrile
CID 134916798
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
CID 2431007
2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
CID 54886867
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile?
The IUPAC name of (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile (CID 10716423) is (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile.
What is the SMILES notation for (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile?
The canonical SMILES for (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile is N#C[C@@H](NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile?
The InChIKey is XIWURKWOFJMTPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-14-8-6-13(7-9-14)15(10-17)18-11-12-4-2-1-3-5-12/h1-9,15,18H,11H2/t15-/m1/s1.
What are the key properties of (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile?
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile has a molecular weight of 256.74 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile is sourced from PubChem (CID 10716423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).