1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile

C17H11ClN2O — CID 107918801

IUPAC1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CC(=O)c1ccccc1Cl
InChIInChI=1S/C17H11ClN2O/c18-15-6-2-1-5-14(15)17(21)11-20-9-8-13-12(10-19)4-3-7-16(13)20/h1-9H,11H2
InChIKeyQOOXXNSEMBKERT-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.05
Rot. Bonds3

About 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile

1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile (PubChem CID 107918801) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
PubChem CID107918801
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CC(=O)c1ccccc1Cl
InChIInChI=1S/C17H11ClN2O/c18-15-6-2-1-5-14(15)17(21)11-20-9-8-13-12(10-19)4-3-7-16(13)20/h1-9H,11H2
InChIKeyQOOXXNSEMBKERT-UHFFFAOYSA-N
XLogP4.05
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]indole-4-carbonitrile
CID 107918805
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
CID 107918780
2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-(4-phenylbutyl)indole-4-carbonitrile
CID 107919078
2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
CID 107919108
1-(3-phenylpropyl)indole-4-carbonitrile
CID 107918950
3-(4-cyanoindol-1-yl)propanehydrazide
CID 107919610
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile (CID 107918801) is 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile is N#Cc1cccc2c1ccn2CC(=O)c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile?
The InChIKey is QOOXXNSEMBKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-15-6-2-1-5-14(15)17(21)11-20-9-8-13-12(10-19)4-3-7-16(13)20/h1-9H,11H2.
What are the key properties of 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile?
1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile has a molecular weight of 294.74 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile is sourced from PubChem (CID 107918801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).