7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one

C15H17BrFNO — CID 106986994

IUPAC7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Br)cc(F)cc2C1CC1CCCCC1
InChIInChI=1S/C15H17BrFNO/c16-13-8-10(17)7-11-12(15(19)18-14(11)13)6-9-4-2-1-3-5-9/h7-9,12H,1-6H2,(H,18,19)
InChIKeyRENMZTSXLJDIQM-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.59
Rot. Bonds2

About 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one

7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 106986994) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID106986994
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Br)cc(F)cc2C1CC1CCCCC1
InChIInChI=1S/C15H17BrFNO/c16-13-8-10(17)7-11-12(15(19)18-14(11)13)6-9-4-2-1-3-5-9/h7-9,12H,1-6H2,(H,18,19)
InChIKeyRENMZTSXLJDIQM-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986588
5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
CID 19076497
3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one
CID 106987028
2-bromo-6-(cyclopentylmethyl)-4-fluorophenol
CID 70915460
5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one
CID 82190601
5,7-difluoro-3-pent-3-ynyl-1,3-dihydroindol-2-one
CID 106987276
3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986352
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
CID 106702087
3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986568
7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole
CID 106986130
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one (CID 106986994) is 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2c(Br)cc(F)cc2C1CC1CCCCC1.
What is the InChIKey of 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is RENMZTSXLJDIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c16-13-8-10(17)7-11-12(15(19)18-14(11)13)6-9-4-2-1-3-5-9/h7-9,12H,1-6H2,(H,18,19).
What are the key properties of 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 326.21 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).