3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile

C16H8BrFN2O — CID 107919850

IUPAC3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(=O)c3cc(F)cc(Br)c3)c2c1
InChIInChI=1S/C16H8BrFN2O/c17-11-4-10(5-12(18)6-11)16(21)14-8-20-15-2-1-9(7-19)3-13(14)15/h1-6,8,20H
InChIKeyZNRBLDDHLPWHHZ-UHFFFAOYSA-N
MW343.16 g/mol
LogP4.17
Rot. Bonds2

About 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile

3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile (PubChem CID 107919850) has the molecular formula C16H8BrFN2O and a molecular weight of 343.16 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile
PubChem CID107919850
Molecular FormulaC16H8BrFN2O
Molecular Weight343.16 g/mol
Exact Mass341.98
IUPAC Name3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(=O)c3cc(F)cc(Br)c3)c2c1
InChIInChI=1S/C16H8BrFN2O/c17-11-4-10(5-12(18)6-11)16(21)14-8-20-15-2-1-9(7-19)3-13(14)15/h1-6,8,20H
InChIKeyZNRBLDDHLPWHHZ-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-(3-fluoro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919798
3-(3,5-diaminobenzoyl)-1H-indole-5-carbonitrile
CID 107920935
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(4-methylsulfanylbenzoyl)-1H-indole-5-carbonitrile
CID 107919821
3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919914
3-(3-iodobenzoyl)-1H-indole-5-carbonitrile
CID 107919842
3-(2,3-difluorobenzoyl)-1H-indole-5-carbonitrile
CID 107919907
3-acetyl-1H-indole-5-carbonitrile
CID 28505
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
CID 107919886

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile (CID 107919850) is 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C(=O)c3cc(F)cc(Br)c3)c2c1.
What is the InChIKey of 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile?
The InChIKey is ZNRBLDDHLPWHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrFN2O/c17-11-4-10(5-12(18)6-11)16(21)14-8-20-15-2-1-9(7-19)3-13(14)15/h1-6,8,20H.
What are the key properties of 3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile?
3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-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-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 107919850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).