(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

C22H17FN2O3 — CID 7282038

IUPAC(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccn1
InChIInChI=1S/C22H17FN2O3/c23-16-7-5-6-15(12-16)14-25-19-10-2-1-8-17(19)22(28,21(25)27)13-20(26)18-9-3-4-11-24-18/h1-12,28H,13-14H2/t22-/m1/s1
InChIKeyICZSBQHGJKLTNI-JOCHJYFZSA-N
MW376.39 g/mol
LogP3.23
Rot. Bonds5

About (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (PubChem CID 7282038) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
PubChem CID7282038
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccn1
InChIInChI=1S/C22H17FN2O3/c23-16-7-5-6-15(12-16)14-25-19-10-2-1-8-17(19)22(28,21(25)27)13-20(26)18-9-3-4-11-24-18/h1-12,28H,13-14H2/t22-/m1/s1
InChIKeyICZSBQHGJKLTNI-JOCHJYFZSA-N
XLogP3.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7270818
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40878367
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
CID 7281333
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131259
(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40878364
1'-benzyl-2-[3-[[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]methyl]phenyl]-6-pyridin-2-ylspiro[1,3-dioxane-4,3'-indole]-2'-one
CID 123968525
(3S)-1-(azepan-1-ylmethyl)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 40771694
(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate
CID 2927588
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 40878371

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (CID 7282038) is (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.
What is the SMILES notation for (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The canonical SMILES for (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccn1.
What is the InChIKey of (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The InChIKey is ICZSBQHGJKLTNI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17FN2O3/c23-16-7-5-6-15(12-16)14-25-19-10-2-1-8-17(19)22(28,21(25)27)13-20(26)18-9-3-4-11-24-18/h1-12,28H,13-14H2/t22-/m1/s1.
What are the key properties of (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one has a molecular weight of 376.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is sourced from PubChem (CID 7282038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).