1-benzyl-5-bromo-3,3-difluoroindol-2-one

C15H10BrF2NO — CID 102306574

IUPAC1-benzyl-5-bromo-3,3-difluoroindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccc(Br)cc2C1(F)F
InChIInChI=1S/C15H10BrF2NO/c16-11-6-7-13-12(8-11)15(17,18)14(20)19(13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPNEOTQFEJYDFAP-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.09
Rot. Bonds2

About 1-benzyl-5-bromo-3,3-difluoroindol-2-one

1-benzyl-5-bromo-3,3-difluoroindol-2-one (PubChem CID 102306574) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is 1-benzyl-5-bromo-3,3-difluoroindol-2-one.

Molecular Properties

Compound Name1-benzyl-5-bromo-3,3-difluoroindol-2-one
PubChem CID102306574
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name1-benzyl-5-bromo-3,3-difluoroindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccc(Br)cc2C1(F)F
InChIInChI=1S/C15H10BrF2NO/c16-11-6-7-13-12(8-11)15(17,18)14(20)19(13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPNEOTQFEJYDFAP-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-5-bromo-3-hydroxy-3-(hydroxymethyl)indol-2-one
CID 102334862
(3R)-1-benzyl-5-bromo-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1255841
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 17077782
(3R)-1-benzyl-5-bromo-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 98168699
(3S)-1-benzyl-5-bromo-3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 40874559
1-benzyl-5-bromo-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3587004
(3R)-1-benzyl-5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 27522874
1-benzyl-5-bromo-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 3883654
tert-butyl N-[(3S)-1-benzyl-5-bromo-3-hydroperoxy-2-oxoindol-3-yl]carbamate
CID 132821898
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
(3S)-3-amino-1-benzyl-6-bromo-3-[(2S)-2-fluoro-1-oxo-3,4-dihydronaphthalen-2-yl]indol-2-one
CID 132554327
1-benzyl-5-bromo-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 4586156

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-3,3-difluoroindol-2-one?
The IUPAC name of 1-benzyl-5-bromo-3,3-difluoroindol-2-one (CID 102306574) is 1-benzyl-5-bromo-3,3-difluoroindol-2-one.
What is the SMILES notation for 1-benzyl-5-bromo-3,3-difluoroindol-2-one?
The canonical SMILES for 1-benzyl-5-bromo-3,3-difluoroindol-2-one is O=C1N(Cc2ccccc2)c2ccc(Br)cc2C1(F)F.
What is the InChIKey of 1-benzyl-5-bromo-3,3-difluoroindol-2-one?
The InChIKey is PNEOTQFEJYDFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c16-11-6-7-13-12(8-11)15(17,18)14(20)19(13)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-benzyl-5-bromo-3,3-difluoroindol-2-one?
1-benzyl-5-bromo-3,3-difluoroindol-2-one has a molecular weight of 338.15 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-3,3-difluoroindol-2-one is sourced from PubChem (CID 102306574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).