2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile

C17H15Cl2N — CID 82141328

IUPAC2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile
SMILESCc1ccc(C)c(CC(C#N)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2N/c1-11-3-4-12(2)13(7-11)8-14(10-20)16-6-5-15(18)9-17(16)19/h3-7,9,14H,8H2,1-2H3
InChIKeyLNMZCBWUQBCOBU-UHFFFAOYSA-N
MW304.22 g/mol
LogP5.46
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile

2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile (PubChem CID 82141328) has the molecular formula C17H15Cl2N and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile
PubChem CID82141328
Molecular FormulaC17H15Cl2N
Molecular Weight304.22 g/mol
Exact Mass303.06
IUPAC Name2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile
SMILESCc1ccc(C)c(CC(C#N)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2N/c1-11-3-4-12(2)13(7-11)8-14(10-20)16-6-5-15(18)9-17(16)19/h3-7,9,14H,8H2,1-2H3
InChIKeyLNMZCBWUQBCOBU-UHFFFAOYSA-N
XLogP5.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287672
(2S)-3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propanenitrile
CID 94735380
3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
3-(2,5-dimethylphenyl)-2-phenylpropanenitrile
CID 82141321
3-(2,5-dimethylphenyl)-2-(4-fluorophenyl)propanenitrile
CID 82141326
3-(5-chloro-2-methylphenyl)-2-methylpropanenitrile
CID 83637230
2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
CID 107993440
3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile
CID 82139465
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180
[1-(2-chloro-4-methylphenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 106859721
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
CID 92982599

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile (CID 82141328) is 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile is Cc1ccc(C)c(CC(C#N)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile?
The InChIKey is LNMZCBWUQBCOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N/c1-11-3-4-12(2)13(7-11)8-14(10-20)16-6-5-15(18)9-17(16)19/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile?
2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile has a molecular weight of 304.22 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile is sourced from PubChem (CID 82141328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).