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

C15H9Cl2N — CID 19419

IUPAC2,3-bis(4-chlorophenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-9H
InChIKeyYWNTXOMZGAMPDE-UHFFFAOYSA-N
MW274.15 g/mol
LogP5.06
Rot. Bonds2

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

2,3-bis(4-chlorophenyl)prop-2-enenitrile (PubChem CID 19419) has the molecular formula C15H9Cl2N and a molecular weight of 274.15 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)prop-2-enenitrile
PubChem CID19419
Molecular FormulaC15H9Cl2N
Molecular Weight274.15 g/mol
Exact Mass273.01
IUPAC Name2,3-bis(4-chlorophenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-9H
InChIKeyYWNTXOMZGAMPDE-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-pyridin-4-ylprop-2-enenitrile
CID 132529295
2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
CID 912015
(E)-2-(4-chlorophenyl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile
CID 126249436
(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 17272599
(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2201191
3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
CID 66746876
2-(4-chlorophenyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile
CID 3286382
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
CID 4089006
3-[2-(4-chlorophenyl)-1-cyanoethenyl]benzonitrile
CID 3913504
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)prop-2-enenitrile?
The IUPAC name of 2,3-bis(4-chlorophenyl)prop-2-enenitrile (CID 19419) is 2,3-bis(4-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for 2,3-bis(4-chlorophenyl)prop-2-enenitrile is N#CC(=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)prop-2-enenitrile?
The InChIKey is YWNTXOMZGAMPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-9H.
What are the key properties of 2,3-bis(4-chlorophenyl)prop-2-enenitrile?
2,3-bis(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 2,3-bis(4-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 19419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).