(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one

C22H17F2NO3 — CID 95095417

IUPAC(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
SMILESO=C1N(CCOc2ccc(F)cc2)c2ccccc2[C@@]1(O)c1cccc(F)c1
InChIInChI=1S/C22H17F2NO3/c23-16-8-10-18(11-9-16)28-13-12-25-20-7-2-1-6-19(20)22(27,21(25)26)15-4-3-5-17(24)14-15/h1-11,14,27H,12-13H2/t22-/m0/s1
InChIKeyIRWHMOQZGLIXKC-QFIPXVFZSA-N
MW381.38 g/mol
LogP3.63
Rot. Bonds5

About (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one

(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one (PubChem CID 95095417) has the molecular formula C22H17F2NO3 and a molecular weight of 381.38 g/mol. Its IUPAC name is (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
PubChem CID95095417
Molecular FormulaC22H17F2NO3
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
SMILESO=C1N(CCOc2ccc(F)cc2)c2ccccc2[C@@]1(O)c1cccc(F)c1
InChIInChI=1S/C22H17F2NO3/c23-16-8-10-18(11-9-16)28-13-12-25-20-7-2-1-6-19(20)22(27,21(25)26)15-4-3-5-17(24)14-15/h1-11,14,27H,12-13H2/t22-/m0/s1
InChIKeyIRWHMOQZGLIXKC-QFIPXVFZSA-N
XLogP3.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile
CID 95095371
(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
CID 29164492
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194
methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 95095338
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 95095383
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
CID 95095311
(5R)-5-(2-chlorophenyl)-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 40745064
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 95095424
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
4-[3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]butanenitrile
CID 54033837

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one?
The IUPAC name of (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one (CID 95095417) is (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one.
What is the SMILES notation for (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one?
The canonical SMILES for (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one is O=C1N(CCOc2ccc(F)cc2)c2ccccc2[C@@]1(O)c1cccc(F)c1.
What is the InChIKey of (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one?
The InChIKey is IRWHMOQZGLIXKC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17F2NO3/c23-16-8-10-18(11-9-16)28-13-12-25-20-7-2-1-6-19(20)22(27,21(25)26)15-4-3-5-17(24)14-15/h1-11,14,27H,12-13H2/t22-/m0/s1.
What are the key properties of (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one?
(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one has a molecular weight of 381.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one is sourced from PubChem (CID 95095417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).