3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile

C17H11ClN2O — CID 107919914

IUPAC3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile
SMILESCc1cc(Cl)cc(C(=O)c2c[nH]c3ccc(C#N)cc23)c1
InChIInChI=1S/C17H11ClN2O/c1-10-4-12(7-13(18)5-10)17(21)15-9-20-16-3-2-11(8-19)6-14(15)16/h2-7,9,20H,1H3
InChIKeyAVKXMEGFZQKZIS-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.23
Rot. Bonds2

About 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile

3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile (PubChem CID 107919914) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile
PubChem CID107919914
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile
SMILESCc1cc(Cl)cc(C(=O)c2c[nH]c3ccc(C#N)cc23)c1
InChIInChI=1S/C17H11ClN2O/c1-10-4-12(7-13(18)5-10)17(21)15-9-20-16-3-2-11(8-19)6-14(15)16/h2-7,9,20H,1H3
InChIKeyAVKXMEGFZQKZIS-UHFFFAOYSA-N
XLogP4.23
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919798
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
3-(3,5-diaminobenzoyl)-1H-indole-5-carbonitrile
CID 107920935
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(4-methylsulfanylbenzoyl)-1H-indole-5-carbonitrile
CID 107919821
3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
CID 107919886
3-acetyl-1H-indole-5-carbonitrile
CID 28505
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile
CID 107919850
3-(3-iodobenzoyl)-1H-indole-5-carbonitrile
CID 107919842
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile (CID 107919914) is 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile is Cc1cc(Cl)cc(C(=O)c2c[nH]c3ccc(C#N)cc23)c1.
What is the InChIKey of 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile?
The InChIKey is AVKXMEGFZQKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c1-10-4-12(7-13(18)5-10)17(21)15-9-20-16-3-2-11(8-19)6-14(15)16/h2-7,9,20H,1H3.
What are the key properties of 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile?
3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile has a molecular weight of 294.74 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 107919914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).