(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one

C15H11BrFNO — CID 7379394

IUPAC(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@H]1Cc1ccccc1F
InChIInChI=1S/C15H11BrFNO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-6,8,12H,7H2,(H,18,19)/t12-/m0/s1
InChIKeyZUIDXENKQIXGAX-LBPRGKRZSA-N
MW320.16 g/mol
LogP3.87
Rot. Bonds2

About (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one

(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 7379394) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID7379394
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@H]1Cc1ccccc1F
InChIInChI=1S/C15H11BrFNO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-6,8,12H,7H2,(H,18,19)/t12-/m0/s1
InChIKeyZUIDXENKQIXGAX-LBPRGKRZSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-5-bromo-3-[(2-butoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 40784158
5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one
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5-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-1,3-dihydroindol-2-one
CID 174456109
(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367927
5-bromo-3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912281
2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
CID 1127147
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
5-bromo-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912764
[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium
CID 7438739
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79290898

Frequently Asked Questions

What is the IUPAC name of (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one (CID 7379394) is (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2[C@@H]1Cc1ccccc1F.
What is the InChIKey of (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ZUIDXENKQIXGAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-6,8,12H,7H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 320.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 7379394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).