1-[(3-chlorophenyl)methyl]indole-3-carbonitrile

C16H11ClN2 — CID 2236605

IUPAC1-[(3-chlorophenyl)methyl]indole-3-carbonitrile
SMILESN#Cc1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H11ClN2/c17-14-5-3-4-12(8-14)10-19-11-13(9-18)15-6-1-2-7-16(15)19/h1-8,11H,10H2
InChIKeyPDFYGPOATKAPDN-UHFFFAOYSA-N
MW266.73 g/mol
LogP4.21
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile

1-[(3-chlorophenyl)methyl]indole-3-carbonitrile (PubChem CID 2236605) has the molecular formula C16H11ClN2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]indole-3-carbonitrile
PubChem CID2236605
Molecular FormulaC16H11ClN2
Molecular Weight266.73 g/mol
Exact Mass266.06
IUPAC Name1-[(3-chlorophenyl)methyl]indole-3-carbonitrile
SMILESN#Cc1cn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H11ClN2/c17-14-5-3-4-12(8-14)10-19-11-13(9-18)15-6-1-2-7-16(15)19/h1-8,11H,10H2
InChIKeyPDFYGPOATKAPDN-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

5-Chlorotryptamine
CID 77379
5-Chloro-alphamt
CID 12833
1-Methyl-1H-indole-3-carbonitrile
CID 2307681
1-Phenyl-1H-indole
CID 182029
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
Dorastine
CID 30530
1-methyl-N,N-dimethyltryptamine
CID 25927
2-(4-Chlorophenyl)indolizine
CID 346941
Tepirindole
CID 68915
(R,S)-1-(5-chloro-1H-indol-1-yl)propan-2-amine
CID 9855823
[2-(3-Benzyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 20722800
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile?
The IUPAC name of 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile (CID 2236605) is 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile is N#Cc1cn(Cc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile?
The InChIKey is PDFYGPOATKAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2/c17-14-5-3-4-12(8-14)10-19-11-13(9-18)15-6-1-2-7-16(15)19/h1-8,11H,10H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]indole-3-carbonitrile?
1-[(3-chlorophenyl)methyl]indole-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-[(3-chlorophenyl)methyl]indole-3-carbonitrile is sourced from PubChem (CID 2236605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).