(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one

C17H14FNO3 — CID 791129

IUPAC(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H14FNO3/c1-19-14-5-3-2-4-13(14)17(22,16(19)21)10-15(20)11-6-8-12(18)9-7-11/h2-9,22H,10H2,1H3/t17-/m0/s1
InChIKeyINLYWEAJGUXMQH-KRWDZBQOSA-N
MW299.30 g/mol
LogP2.26
Rot. Bonds3

About (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one

(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one (PubChem CID 791129) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
PubChem CID791129
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H14FNO3/c1-19-14-5-3-2-4-13(14)17(22,16(19)21)10-15(20)11-6-8-12(18)9-7-11/h2-9,22H,10H2,1H3/t17-/m0/s1
InChIKeyINLYWEAJGUXMQH-KRWDZBQOSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 2883376
3-hydroxy-1-methyl-3-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 3527492
(3S)-3-hydroxy-1-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 6927066
2-[(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 796065
5-fluoro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 151072238
(3S)-3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 772929
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-5-nitroindol-2-one
CID 2949052
3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 2972311
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 823783
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one?
The IUPAC name of (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one (CID 791129) is (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one is CN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one?
The InChIKey is INLYWEAJGUXMQH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-19-14-5-3-2-4-13(14)17(22,16(19)21)10-15(20)11-6-8-12(18)9-7-11/h2-9,22H,10H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one?
(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 791129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).