3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile

C16H8Cl2N2O — CID 107919886

IUPAC3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(=O)c3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C16H8Cl2N2O/c17-12-2-1-3-13(18)15(12)16(21)11-8-20-14-5-4-9(7-19)6-10(11)14/h1-6,8,20H
InChIKeyCWPDMDPEQOEVAI-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.58
Rot. Bonds2

About 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile

3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile (PubChem CID 107919886) has the molecular formula C16H8Cl2N2O and a molecular weight of 315.16 g/mol. Its IUPAC name is 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
PubChem CID107919886
Molecular FormulaC16H8Cl2N2O
Molecular Weight315.16 g/mol
Exact Mass314.00
IUPAC Name3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(=O)c3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C16H8Cl2N2O/c17-12-2-1-3-13(18)15(12)16(21)11-8-20-14-5-4-9(7-19)6-10(11)14/h1-6,8,20H
InChIKeyCWPDMDPEQOEVAI-UHFFFAOYSA-N
XLogP4.58
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-6-chlorobenzoyl)-1H-indole-5-carbonitrile
CID 107920965
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
3-(2,3-difluorobenzoyl)-1H-indole-5-carbonitrile
CID 107919907
3-(3-iodobenzoyl)-1H-indole-5-carbonitrile
CID 107919842
3-acetyl-1H-indole-5-carbonitrile
CID 28505
3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919914
3-(3,5-diaminobenzoyl)-1H-indole-5-carbonitrile
CID 107920935
3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107916761
3-(2,2-dimethylpropanoyl)-1H-indole-5-carbonitrile
CID 103942640
3-(4-methylsulfanylbenzoyl)-1H-indole-5-carbonitrile
CID 107919821
3-(cycloheptanecarbonyl)-1H-indole-5-carbonitrile
CID 107919859
3-(3-fluoro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919798

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile (CID 107919886) is 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C(=O)c3c(Cl)cccc3Cl)c2c1.
What is the InChIKey of 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile?
The InChIKey is CWPDMDPEQOEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O/c17-12-2-1-3-13(18)15(12)16(21)11-8-20-14-5-4-9(7-19)6-10(11)14/h1-6,8,20H.
What are the key properties of 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile?
3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile has a molecular weight of 315.16 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 107919886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).