2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile

C24H15Cl3N2 — CID 4038734

IUPAC2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
SMILESN#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C24H15Cl3N2/c25-19-10-9-16(23(27)12-19)14-29-15-18(21-6-2-4-8-24(21)29)11-17(13-28)20-5-1-3-7-22(20)26/h1-12,15H,14H2
InChIKeyGZWWRFWUJAMMOT-UHFFFAOYSA-N
MW437.76 g/mol
LogP7.71
Rot. Bonds4

About 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile

2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile (PubChem CID 4038734) has the molecular formula C24H15Cl3N2 and a molecular weight of 437.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
PubChem CID4038734
Molecular FormulaC24H15Cl3N2
Molecular Weight437.76 g/mol
Exact Mass436.03
IUPAC Name2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
SMILESN#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C24H15Cl3N2/c25-19-10-9-16(23(27)12-19)14-29-15-18(21-6-2-4-8-24(21)29)11-17(13-28)20-5-1-3-7-22(20)26/h1-12,15H,14H2
InChIKeyGZWWRFWUJAMMOT-UHFFFAOYSA-N
XLogP7.71
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.76
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 3304288
2-cyano-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enethioamide
CID 2982472
(E)-2-(1-benzylbenzimidazol-2-yl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 126339698
2-(1H-benzimidazol-2-yl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 2849770
(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 51064390
(E)-2-(4-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 126370897
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide
CID 124646628
2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 3647356
(E)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enamide
CID 17268641
(E)-2-benzoyl-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 21381879
(E)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]-2-phenylprop-2-enenitrile
CID 126364856
(E)-2-(4-chlorophenyl)-3-[1-[(3-methylphenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 126005354

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile (CID 4038734) is 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile is N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
The InChIKey is GZWWRFWUJAMMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3N2/c25-19-10-9-16(23(27)12-19)14-29-15-18(21-6-2-4-8-24(21)29)11-17(13-28)20-5-1-3-7-22(20)26/h1-12,15H,14H2.
What are the key properties of 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile has a molecular weight of 437.76 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile is sourced from PubChem (CID 4038734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).