2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile

C17H13ClN2 — CID 22689249

IUPAC2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
SMILESCCn1c(-c2ccc(Cl)cc2)c(C#N)c2ccccc21
InChIInChI=1S/C17H13ClN2/c1-2-20-16-6-4-3-5-14(16)15(11-19)17(20)12-7-9-13(18)10-8-12/h3-10H,2H2,1H3
InChIKeyBRIKKUOINXPIPY-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.85
Rot. Bonds2

About 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile

2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile (PubChem CID 22689249) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
PubChem CID22689249
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
SMILESCCn1c(-c2ccc(Cl)cc2)c(C#N)c2ccccc21
InChIInChI=1S/C17H13ClN2/c1-2-20-16-6-4-3-5-14(16)15(11-19)17(20)12-7-9-13(18)10-8-12/h3-10H,2H2,1H3
InChIKeyBRIKKUOINXPIPY-UHFFFAOYSA-N
XLogP4.85
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
CID 58694045
2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole
CID 154105715
4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide
CID 58693995
1,2-diethylindole-3-carbonitrile
CID 22689233
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
1,3-dibenzyl-4-(4-chlorophenyl)-2,6-dioxopyrimidine-5-carbonitrile
CID 1201999
2-cyclopropyl-1-ethylindole-3-carbonitrile
CID 22689235
1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124
1-ethyl-2-(4-hydroxyphenyl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 58694290
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
CID 58694355
1-ethyl-6-methyl-2-(4-methylsulfonylphenyl)indole-3-carbonitrile
CID 58039094

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile (CID 22689249) is 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile is CCn1c(-c2ccc(Cl)cc2)c(C#N)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile?
The InChIKey is BRIKKUOINXPIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c1-2-20-16-6-4-3-5-14(16)15(11-19)17(20)12-7-9-13(18)10-8-12/h3-10H,2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile?
2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile has a molecular weight of 280.76 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile is sourced from PubChem (CID 22689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).