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

C16H8BrFN2O — CID 107918686

IUPAC3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(=O)c3ccc(Br)cc3F)c12
InChIInChI=1S/C16H8BrFN2O/c17-10-4-5-11(13(18)6-10)16(21)12-8-20-14-3-1-2-9(7-19)15(12)14/h1-6,8,20H
InChIKeyZPKVUMWMGPTKSO-UHFFFAOYSA-N
MW343.16 g/mol
LogP4.17
Rot. Bonds2

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

3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile (PubChem CID 107918686) has the molecular formula C16H8BrFN2O and a molecular weight of 343.16 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile
PubChem CID107918686
Molecular FormulaC16H8BrFN2O
Molecular Weight343.16 g/mol
Exact Mass341.98
IUPAC Name3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(=O)c3ccc(Br)cc3F)c12
InChIInChI=1S/C16H8BrFN2O/c17-10-4-5-11(13(18)6-10)16(21)12-8-20-14-3-1-2-9(7-19)15(12)14/h1-6,8,20H
InChIKeyZPKVUMWMGPTKSO-UHFFFAOYSA-N
XLogP4.17
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-3-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918646
3-(5-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918718
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
3-(3-chloro-2-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918692
3-(2-amino-5-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919633
3-[2-(4-bromophenyl)acetyl]-1H-indole-4-carbonitrile
CID 107918738
3-(2-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107918715
3-(2,5-dimethylfuran-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918683
3-(3-amino-4-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919650
3-(2,2-dimethylpropanoyl)-1H-indole-4-carbonitrile
CID 107918562
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
The IUPAC name of 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile (CID 107918686) is 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]cc(C(=O)c3ccc(Br)cc3F)c12.
What is the InChIKey of 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
The InChIKey is ZPKVUMWMGPTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrFN2O/c17-10-4-5-11(13(18)6-10)16(21)12-8-20-14-3-1-2-9(7-19)15(12)14/h1-6,8,20H.
What are the key properties of 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile?
3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile has a molecular weight of 343.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 107918686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).