6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one

C15H10BrF2NO2 — CID 158342619

IUPAC6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one
SMILESCOc1cc(Br)cc2c1CC(=O)N2c1cc(F)cc(F)c1
InChIInChI=1S/C15H10BrF2NO2/c1-21-14-3-8(16)2-13-12(14)7-15(20)19(13)11-5-9(17)4-10(18)6-11/h2-6H,7H2,1H3
InChIKeyUKEVSIIAKJJAHO-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.96
Rot. Bonds2

About 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one

6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one (PubChem CID 158342619) has the molecular formula C15H10BrF2NO2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one.

Molecular Properties

Compound Name6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one
PubChem CID158342619
Molecular FormulaC15H10BrF2NO2
Molecular Weight354.15 g/mol
Exact Mass352.99
IUPAC Name6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one
SMILESCOc1cc(Br)cc2c1CC(=O)N2c1cc(F)cc(F)c1
InChIInChI=1S/C15H10BrF2NO2/c1-21-14-3-8(16)2-13-12(14)7-15(20)19(13)11-5-9(17)4-10(18)6-11/h2-6H,7H2,1H3
InChIKeyUKEVSIIAKJJAHO-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-phenyl-3H-indol-2-one
CID 12777165
6-amino-4-methoxy-1-methyl-3H-indol-2-one
CID 117275638
1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
CID 54967272
5-bromo-2-fluoro-1-methoxy-3-methylbenzene
CID 74891119
1-(3-bromo-4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 112598045
(1S,9R)-4-bromo-10-(3-fluorophenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 51027750
3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 110426879
6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
CID 170790380
1-(3,5-difluorophenyl)pyrrolidine-2,4-dione
CID 79515218
5-bromo-2-fluoro-1-iodo-3-methoxybenzene
CID 162421202
(1R,9S)-4-bromo-10-(4-fluorophenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 98174053
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one?
The IUPAC name of 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one (CID 158342619) is 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one.
What is the SMILES notation for 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one?
The canonical SMILES for 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one is COc1cc(Br)cc2c1CC(=O)N2c1cc(F)cc(F)c1.
What is the InChIKey of 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one?
The InChIKey is UKEVSIIAKJJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO2/c1-21-14-3-8(16)2-13-12(14)7-15(20)19(13)11-5-9(17)4-10(18)6-11/h2-6H,7H2,1H3.
What are the key properties of 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one?
6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one has a molecular weight of 354.15 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3,5-difluorophenyl)-4-methoxy-3H-indol-2-one is sourced from PubChem (CID 158342619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).