2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile

C18H12ClN3 — CID 24885114

IUPAC2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile
SMILESN#CC(C#N)C(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C18H12ClN3/c19-16-7-3-1-6-14(16)18(12(9-20)10-21)15-11-22-17-8-4-2-5-13(15)17/h1-8,11-12,18,22H
InChIKeyQSBVIXBXRODBJX-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.62
Rot. Bonds3

About 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile

2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile (PubChem CID 24885114) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile
PubChem CID24885114
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile
SMILESN#CC(C#N)C(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C18H12ClN3/c19-16-7-3-1-6-14(16)18(12(9-20)10-21)15-11-22-17-8-4-2-5-13(15)17/h1-8,11-12,18,22H
InChIKeyQSBVIXBXRODBJX-UHFFFAOYSA-N
XLogP4.62
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile
CID 177391773
diethyl 2-[(R)-(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedioate
CID 11153804
2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile
CID 84817781
(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
CID 45101575
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
3-propan-2-yl-1H-indole
CID 12534824
3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976328
2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645167
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645174

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile?
The IUPAC name of 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile (CID 24885114) is 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile?
The canonical SMILES for 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile is N#CC(C#N)C(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile?
The InChIKey is QSBVIXBXRODBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-16-7-3-1-6-14(16)18(12(9-20)10-21)15-11-22-17-8-4-2-5-13(15)17/h1-8,11-12,18,22H.
What are the key properties of 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile?
2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile has a molecular weight of 305.77 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile is sourced from PubChem (CID 24885114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).