(Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile

C19H11Cl2N — CID 90666850

IUPAC(Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N/c20-18-8-7-16(11-19(18)21)17(12-22)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H/b17-10+
InChIKeyXNPXCNMNOFUUTN-LICLKQGHSA-N
MW324.21 g/mol
LogP6.21
Rot. Bonds2

About (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile

(Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile (PubChem CID 90666850) has the molecular formula C19H11Cl2N and a molecular weight of 324.21 g/mol. Its IUPAC name is (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile
PubChem CID90666850
Molecular FormulaC19H11Cl2N
Molecular Weight324.21 g/mol
Exact Mass323.03
IUPAC Name(Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N/c20-18-8-7-16(11-19(18)21)17(12-22)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H/b17-10+
InChIKeyXNPXCNMNOFUUTN-LICLKQGHSA-N
XLogP6.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.21
LogP ≤ 56.21
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'}

Analyze (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile (CID 90666850) is (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile is N#C/C(=C\c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile?
The InChIKey is XNPXCNMNOFUUTN-LICLKQGHSA-N. The full InChI is InChI=1S/C19H11Cl2N/c20-18-8-7-16(11-19(18)21)17(12-22)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H/b17-10+.
What are the key properties of (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile?
(Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile has a molecular weight of 324.21 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dichlorophenyl)-3-naphthalen-2-ylprop-2-enenitrile is sourced from PubChem (CID 90666850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).