2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile

C15H9Cl2N — CID 696764

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H9Cl2N/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17/h1-9H
InChIKeyJBMKSGOWYLYNFD-UHFFFAOYSA-N
MW274.15 g/mol
LogP5.06
Rot. Bonds2

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile

2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile (PubChem CID 696764) has the molecular formula C15H9Cl2N and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
PubChem CID696764
Molecular FormulaC15H9Cl2N
Molecular Weight274.15 g/mol
Exact Mass273.01
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H9Cl2N/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17/h1-9H
InChIKeyJBMKSGOWYLYNFD-UHFFFAOYSA-N
XLogP5.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.15
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile
CID 6073171
2-(2-chlorophenyl)-3-(4-phenylsulfanylphenyl)prop-2-enenitrile
CID 3447888
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
2-(2-chlorophenyl)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3434327
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628
2-(2-chlorophenyl)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 5156155
(E)-3-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)prop-2-enenitrile
CID 51059850
2-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 5133631
3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(2-chlorophenyl)prop-2-enenitrile
CID 3448531
2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 5234959
2-(2-chlorophenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 3893073
(E)-2-(4-chlorophenyl)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126365201

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile (CID 696764) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile is N#CC(=Cc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The InChIKey is JBMKSGOWYLYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17/h1-9H.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile has a molecular weight of 274.15 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 696764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).