2-(2,4-dichlorophenyl)-5-phenylpentanenitrile

C17H15Cl2N — CID 82137198

IUPAC2-(2,4-dichlorophenyl)-5-phenylpentanenitrile
SMILESN#CC(CCCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N/c18-15-9-10-16(17(19)11-15)14(12-20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8H2
InChIKeyVVFMUCBPQDLQKB-UHFFFAOYSA-N
MW304.22 g/mol
LogP5.62
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile

2-(2,4-dichlorophenyl)-5-phenylpentanenitrile (PubChem CID 82137198) has the molecular formula C17H15Cl2N and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-phenylpentanenitrile
PubChem CID82137198
Molecular FormulaC17H15Cl2N
Molecular Weight304.22 g/mol
Exact Mass303.06
IUPAC Name2-(2,4-dichlorophenyl)-5-phenylpentanenitrile
SMILESN#CC(CCCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N/c18-15-9-10-16(17(19)11-15)14(12-20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8H2
InChIKeyVVFMUCBPQDLQKB-UHFFFAOYSA-N
XLogP5.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile
CID 82137909
(2S)-5-(2-bromophenoxy)-2-(2,4-dichlorophenyl)pentanenitrile
CID 129362493
(2S)-2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)butanenitrile
CID 125465890
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
CID 92982599
[1-(2,4-dichlorophenyl)-3-phenylpropyl]hydrazine
CID 105285831
2-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 82137373
2-(4-methylphenyl)-5-phenylpentanenitrile
CID 82137049
2-(2,6-dichlorophenyl)-4-phenylbutanenitrile
CID 82137101
2-(4-chloro-2-phenylphenyl)-5-(propan-2-ylamino)pentanenitrile
CID 23453819
2-(4-chloro-2-fluorophenyl)hexanenitrile
CID 56604891
[1-(2,5-dichlorophenyl)-4-phenylbutyl]hydrazine
CID 105299790
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile (CID 82137198) is 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile is N#CC(CCCc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile?
The InChIKey is VVFMUCBPQDLQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N/c18-15-9-10-16(17(19)11-15)14(12-20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8H2.
What are the key properties of 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile?
2-(2,4-dichlorophenyl)-5-phenylpentanenitrile has a molecular weight of 304.22 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-phenylpentanenitrile is sourced from PubChem (CID 82137198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).