2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile

C16H14ClFN2 — CID 82019907

IUPAC2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
SMILESN#CC(NCCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2/c17-14-5-3-13(4-6-14)16(11-19)20-10-9-12-1-7-15(18)8-2-12/h1-8,16,20H,9-10H2
InChIKeyMPBMNPJLWFVTKI-UHFFFAOYSA-N
MW288.75 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile

2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile (PubChem CID 82019907) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
PubChem CID82019907
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
SMILESN#CC(NCCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2/c17-14-5-3-13(4-6-14)16(11-19)20-10-9-12-1-7-15(18)8-2-12/h1-8,16,20H,9-10H2
InChIKeyMPBMNPJLWFVTKI-UHFFFAOYSA-N
XLogP3.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817722
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019969
2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
CID 25155800
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503
(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 129390473
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile (CID 82019907) is 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile is N#CC(NCCc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
The InChIKey is MPBMNPJLWFVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c17-14-5-3-13(4-6-14)16(11-19)20-10-9-12-1-7-15(18)8-2-12/h1-8,16,20H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile has a molecular weight of 288.75 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile is sourced from PubChem (CID 82019907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).