3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile

C16H8ClFN2O — CID 107918692

IUPAC3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3F)c12
InChIInChI=1S/C16H8ClFN2O/c17-12-5-2-4-10(15(12)18)16(21)11-8-20-13-6-1-3-9(7-19)14(11)13/h1-6,8,20H
InChIKeyZTIOPKPPWYUHED-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.06
Rot. Bonds2

About 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile

3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile (PubChem CID 107918692) has the molecular formula C16H8ClFN2O and a molecular weight of 298.70 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile
PubChem CID107918692
Molecular FormulaC16H8ClFN2O
Molecular Weight298.70 g/mol
Exact Mass298.03
IUPAC Name3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3F)c12
InChIInChI=1S/C16H8ClFN2O/c17-12-5-2-4-10(15(12)18)16(21)11-8-20-13-6-1-3-9(7-19)14(11)13/h1-6,8,20H
InChIKeyZTIOPKPPWYUHED-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-(5-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918718
3-(2-bromo-3-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918646
3-(2-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107918715
3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918686
3-(2,5-dimethylfuran-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918683
3-(2-amino-5-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919633
3-(2,2-dimethylpropanoyl)-1H-indole-4-carbonitrile
CID 107918562
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
3-(3-amino-4-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919650
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
The IUPAC name of 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile (CID 107918692) is 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3F)c12.
What is the InChIKey of 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
The InChIKey is ZTIOPKPPWYUHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2O/c17-12-5-2-4-10(15(12)18)16(21)11-8-20-13-6-1-3-9(7-19)14(11)13/h1-6,8,20H.
What are the key properties of 3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-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-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 107918692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).