5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile

C21H21Cl2N3 — CID 162124171

IUPAC5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile
SMILESCCN(CC)CCn1c(C#N)c(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C21H21Cl2N3/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(20(26)14-24)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyZHUORVXRFCLAOM-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.83
Rot. Bonds6

About 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile

5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile (PubChem CID 162124171) has the molecular formula C21H21Cl2N3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile
PubChem CID162124171
Molecular FormulaC21H21Cl2N3
Molecular Weight386.33 g/mol
Exact Mass385.11
IUPAC Name5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile
SMILESCCN(CC)CCn1c(C#N)c(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C21H21Cl2N3/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(20(26)14-24)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyZHUORVXRFCLAOM-UHFFFAOYSA-N
XLogP5.83
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile (CID 162124171) is 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile is CCN(CC)CCn1c(C#N)c(-c2ccccc2Cl)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile?
The InChIKey is ZHUORVXRFCLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(20(26)14-24)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile?
5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile has a molecular weight of 386.33 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile is sourced from PubChem (CID 162124171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).