3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile

C17H11FN2O — CID 107916673

IUPAC3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
SMILESCc1cc(F)ccc1C(=O)c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C17H11FN2O/c1-10-6-12(18)3-5-13(10)17(21)15-9-20-16-7-11(8-19)2-4-14(15)16/h2-7,9,20H,1H3
InChIKeyGZKCAKXUOYLWHK-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.72
Rot. Bonds2

About 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile

3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile (PubChem CID 107916673) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
PubChem CID107916673
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
SMILESCc1cc(F)ccc1C(=O)c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C17H11FN2O/c1-10-6-12(18)3-5-13(10)17(21)15-9-20-16-7-11(8-19)2-4-14(15)16/h2-7,9,20H,1H3
InChIKeyGZKCAKXUOYLWHK-UHFFFAOYSA-N
XLogP3.72
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107917681
3-(5-amino-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107917680
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107916761
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916791
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile (CID 107916673) is 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile is Cc1cc(F)ccc1C(=O)c1c[nH]c2cc(C#N)ccc12.
What is the InChIKey of 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile?
The InChIKey is GZKCAKXUOYLWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c1-10-6-12(18)3-5-13(10)17(21)15-9-20-16-7-11(8-19)2-4-14(15)16/h2-7,9,20H,1H3.
What are the key properties of 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile?
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile has a molecular weight of 278.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107916673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).