2-(4-chloroanilino)-4-phenylbutanenitrile

C16H15ClN2 — CID 55129359

IUPAC2-(4-chloroanilino)-4-phenylbutanenitrile
SMILESN#CC(CCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c17-14-7-10-15(11-8-14)19-16(12-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,16,19H,6,9H2
InChIKeyAHHDESCXBKDWHN-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-chloroanilino)-4-phenylbutanenitrile

2-(4-chloroanilino)-4-phenylbutanenitrile (PubChem CID 55129359) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-chloroanilino)-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-4-phenylbutanenitrile
PubChem CID55129359
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-(4-chloroanilino)-4-phenylbutanenitrile
SMILESN#CC(CCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2/c17-14-7-10-15(11-8-14)19-16(12-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,16,19H,6,9H2
InChIKeyAHHDESCXBKDWHN-UHFFFAOYSA-N
XLogP4.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-3-methoxypropanenitrile
CID 130537795
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
4-phenyl-2-(prop-2-enylamino)butanenitrile
CID 62880086
2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
CID 25155800
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
2-(2-methoxyethylamino)-4-phenylbutanenitrile
CID 62880258
2-(4-chloroanilino)-2-methyl-4-phenylbutanenitrile
CID 60987654
2-(4-chloroanilino)propanenitrile
CID 60987659
2-amino-4-phenylbutanenitrile
CID 11159479
[1-(4-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105193229
2-(2,6-dichlorophenyl)-4-phenylbutanenitrile
CID 82137101
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-4-phenylbutanenitrile?
The IUPAC name of 2-(4-chloroanilino)-4-phenylbutanenitrile (CID 55129359) is 2-(4-chloroanilino)-4-phenylbutanenitrile.
What is the SMILES notation for 2-(4-chloroanilino)-4-phenylbutanenitrile?
The canonical SMILES for 2-(4-chloroanilino)-4-phenylbutanenitrile is N#CC(CCc1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-4-phenylbutanenitrile?
The InChIKey is AHHDESCXBKDWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c17-14-7-10-15(11-8-14)19-16(12-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,16,19H,6,9H2.
What are the key properties of 2-(4-chloroanilino)-4-phenylbutanenitrile?
2-(4-chloroanilino)-4-phenylbutanenitrile has a molecular weight of 270.76 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-4-phenylbutanenitrile is sourced from PubChem (CID 55129359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).