3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile

C16H8ClFN2O — CID 107916761

IUPAC3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3cccc(F)c3Cl)c[nH]c2c1
InChIInChI=1S/C16H8ClFN2O/c17-15-11(2-1-3-13(15)18)16(21)12-8-20-14-6-9(7-19)4-5-10(12)14/h1-6,8,20H
InChIKeyZSOAOEXTLPQCSH-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.06
Rot. Bonds2

About 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile

3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile (PubChem CID 107916761) has the molecular formula C16H8ClFN2O and a molecular weight of 298.70 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
PubChem CID107916761
Molecular FormulaC16H8ClFN2O
Molecular Weight298.70 g/mol
Exact Mass298.03
IUPAC Name3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3cccc(F)c3Cl)c[nH]c2c1
InChIInChI=1S/C16H8ClFN2O/c17-15-11(2-1-3-13(15)18)16(21)12-8-20-14-6-9(7-19)4-5-10(12)14/h1-6,8,20H
InChIKeyZSOAOEXTLPQCSH-UHFFFAOYSA-N
XLogP4.06
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107917681
3-(2,3-difluorobenzoyl)-1H-indole-5-carbonitrile
CID 107919907
(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
CID 107919886
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677
3-(5-amino-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107917680
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile (CID 107916761) is 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile is N#Cc1ccc2c(C(=O)c3cccc(F)c3Cl)c[nH]c2c1.
What is the InChIKey of 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile?
The InChIKey is ZSOAOEXTLPQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2O/c17-15-11(2-1-3-13(15)18)16(21)12-8-20-14-6-9(7-19)4-5-10(12)14/h1-6,8,20H.
What are the key properties of 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile?
3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile has a molecular weight of 298.70 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107916761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).