1-benzyl-7-chloroindole-3-carbonitrile

C16H11ClN2 — CID 83786157

IUPAC1-benzyl-7-chloroindole-3-carbonitrile
SMILESN#Cc1cn(Cc2ccccc2)c2c(Cl)cccc12
InChIInChI=1S/C16H11ClN2/c17-15-8-4-7-14-13(9-18)11-19(16(14)15)10-12-5-2-1-3-6-12/h1-8,11H,10H2
InChIKeyKITPXYOKWJZWDH-UHFFFAOYSA-N
MW266.73 g/mol
LogP4.21
Rot. Bonds2

About 1-benzyl-7-chloroindole-3-carbonitrile

1-benzyl-7-chloroindole-3-carbonitrile (PubChem CID 83786157) has the molecular formula C16H11ClN2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-benzyl-7-chloroindole-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-7-chloroindole-3-carbonitrile
PubChem CID83786157
Molecular FormulaC16H11ClN2
Molecular Weight266.73 g/mol
Exact Mass266.06
IUPAC Name1-benzyl-7-chloroindole-3-carbonitrile
SMILESN#Cc1cn(Cc2ccccc2)c2c(Cl)cccc12
InChIInChI=1S/C16H11ClN2/c17-15-8-4-7-14-13(9-18)11-19(16(14)15)10-12-5-2-1-3-6-12/h1-8,11H,10H2
InChIKeyKITPXYOKWJZWDH-UHFFFAOYSA-N
XLogP4.21
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
7-chloro-1-(oxan-4-ylmethyl)indole-3-carbonitrile;phosphoryl trichloride
CID 158296761
2-amino-1-benzylpyrrole-3,4-di(15N)carbonitrile
CID 101051404
3,5-dibenzyl-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57499766
5-bromo-1-[(3,4-dichlorophenyl)methyl]indole-3-carbonitrile
CID 4543496
2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-3H-quinazolin-4-one
CID 137108909
1-benzyl-2,7-dichloroindole-3-carbaldehyde
CID 82269368
1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile
CID 130561396
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
1-benzyl-3-[(dimethylamino)methyl]-6-oxo-5H-pyrrolo[3,2-c]pyridine-7-carbonitrile
CID 12926927
N-[2-(1-benzyl-7-chloroindol-3-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 145099381
2-chlorobenzonitrile
CID 139060041

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-chloroindole-3-carbonitrile?
The IUPAC name of 1-benzyl-7-chloroindole-3-carbonitrile (CID 83786157) is 1-benzyl-7-chloroindole-3-carbonitrile.
What is the SMILES notation for 1-benzyl-7-chloroindole-3-carbonitrile?
The canonical SMILES for 1-benzyl-7-chloroindole-3-carbonitrile is N#Cc1cn(Cc2ccccc2)c2c(Cl)cccc12.
What is the InChIKey of 1-benzyl-7-chloroindole-3-carbonitrile?
The InChIKey is KITPXYOKWJZWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2/c17-15-8-4-7-14-13(9-18)11-19(16(14)15)10-12-5-2-1-3-6-12/h1-8,11H,10H2.
What are the key properties of 1-benzyl-7-chloroindole-3-carbonitrile?
1-benzyl-7-chloroindole-3-carbonitrile has a molecular weight of 266.73 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-chloroindole-3-carbonitrile is sourced from PubChem (CID 83786157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).