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

C15H12ClFN2 — CID 82019785

IUPAC2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(NCc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2/c16-13-5-1-11(2-6-13)10-19-15(9-18)12-3-7-14(17)8-4-12/h1-8,15,19H,10H2
InChIKeyNOAWNUZFYUMABL-UHFFFAOYSA-N
MW274.73 g/mol
LogP3.83
Rot. Bonds4

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

2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile (PubChem CID 82019785) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
PubChem CID82019785
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(NCc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2/c16-13-5-1-11(2-6-13)10-19-15(9-18)12-3-7-14(17)8-4-12/h1-8,15,19H,10H2
InChIKeyNOAWNUZFYUMABL-UHFFFAOYSA-N
XLogP3.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 129390473
2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817722
2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
CID 82019693
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile (CID 82019785) is 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile is N#CC(NCc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile?
The InChIKey is NOAWNUZFYUMABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-13-5-1-11(2-6-13)10-19-15(9-18)12-3-7-14(17)8-4-12/h1-8,15,19H,10H2.
What are the key properties of 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile?
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile has a molecular weight of 274.73 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 82019785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).