2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile

C16H14ClN — CID 117048203

IUPAC2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile
SMILESCC(C#N)(Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN/c1-16(12-18,11-13-6-3-2-4-7-13)14-8-5-9-15(17)10-14/h2-10H,11H2,1H3
InChIKeyAZTWJCQDVVEXGI-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.36
Rot. Bonds3

About 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile

2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile (PubChem CID 117048203) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile
PubChem CID117048203
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile
SMILESCC(C#N)(Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN/c1-16(12-18,11-13-6-3-2-4-7-13)14-8-5-9-15(17)10-14/h2-10H,11H2,1H3
InChIKeyAZTWJCQDVVEXGI-UHFFFAOYSA-N
XLogP4.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
3-(3,4-dichlorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140043
2-(2-cyano-1-phenylpropan-2-yl)benzonitrile
CID 117048187
3-(3-chlorophenyl)-2-hydrazinyl-2-methylpropanenitrile
CID 82126720
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
2-(3-chlorophenyl)-2-methyl-3-phenyl-4-pyridin-3-ylbutanenitrile
CID 70448206
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
1-[2-(bromomethyl)-2-phenylbutyl]-3-chlorobenzene
CID 66048066
2-(3-chlorophenyl)-5-phenylpentan-2-amine
CID 55095968
2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile
CID 82141424
2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile
CID 139377198
1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
CID 63086067

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile (CID 117048203) is 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile is CC(C#N)(Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile?
The InChIKey is AZTWJCQDVVEXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c1-16(12-18,11-13-6-3-2-4-7-13)14-8-5-9-15(17)10-14/h2-10H,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile?
2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile has a molecular weight of 255.75 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile is sourced from PubChem (CID 117048203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).