2-(4-chlorophenyl)-3-phenylpentanedinitrile

C17H13ClN2 — CID 14202275

IUPAC2-(4-chlorophenyl)-3-phenylpentanedinitrile
SMILESN#CCC(c1ccccc1)C(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2/c18-15-8-6-14(7-9-15)17(12-20)16(10-11-19)13-4-2-1-3-5-13/h1-9,16-17H,10H2
InChIKeyQJIDLCHBEGYENH-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.64
Rot. Bonds4

About 2-(4-chlorophenyl)-3-phenylpentanedinitrile

2-(4-chlorophenyl)-3-phenylpentanedinitrile (PubChem CID 14202275) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-phenylpentanedinitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-phenylpentanedinitrile
PubChem CID14202275
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name2-(4-chlorophenyl)-3-phenylpentanedinitrile
SMILESN#CCC(c1ccccc1)C(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2/c18-15-8-6-14(7-9-15)17(12-20)16(10-11-19)13-4-2-1-3-5-13/h1-9,16-17H,10H2
InChIKeyQJIDLCHBEGYENH-UHFFFAOYSA-N
XLogP4.64
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4-cyano-4-phenylbutanoic acid
CID 12834926
3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
CID 11428266
ethane;5-methoxy-2,3-diphenylhex-5-enenitrile
CID 159295658
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
4-cyano-3,4-diphenylbutanoate
CID 20501978
(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
CID 125488231
3-(4-chlorophenyl)-3-(dibenzylamino)propanenitrile
CID 11187551
3-(4-chlorophenyl)-4-cyanobutanoic acid
CID 83708650
3-bromo-2,3-diphenylpropanenitrile
CID 14451941
3-amino-4-(4-chlorophenyl)-4-cyanobutanoic acid
CID 170872427
2,3-diphenylhex-5-enenitrile;ethane;yttrium
CID 160854538
(3S,4S)-4-(dimethylamino)-3-phenylpentanenitrile
CID 102152439

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-phenylpentanedinitrile?
The IUPAC name of 2-(4-chlorophenyl)-3-phenylpentanedinitrile (CID 14202275) is 2-(4-chlorophenyl)-3-phenylpentanedinitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-3-phenylpentanedinitrile?
The canonical SMILES for 2-(4-chlorophenyl)-3-phenylpentanedinitrile is N#CCC(c1ccccc1)C(C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-phenylpentanedinitrile?
The InChIKey is QJIDLCHBEGYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-15-8-6-14(7-9-15)17(12-20)16(10-11-19)13-4-2-1-3-5-13/h1-9,16-17H,10H2.
What are the key properties of 2-(4-chlorophenyl)-3-phenylpentanedinitrile?
2-(4-chlorophenyl)-3-phenylpentanedinitrile has a molecular weight of 280.76 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-phenylpentanedinitrile is sourced from PubChem (CID 14202275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).