(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

C17H14FNO3 — CID 124886760

IUPAC(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1ccccc1F
InChIInChI=1S/C17H14FNO3/c1-10-5-4-7-12-15(10)19-16(21)17(12,22)9-14(20)11-6-2-3-8-13(11)18/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyPIRKEIPAYZHHEB-KRWDZBQOSA-N
MW299.30 g/mol
LogP2.55
Rot. Bonds3

About (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 124886760) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID124886760
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1ccccc1F
InChIInChI=1S/C17H14FNO3/c1-10-5-4-7-12-15(10)19-16(21)17(12,22)9-14(20)11-6-2-3-8-13(11)18/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyPIRKEIPAYZHHEB-KRWDZBQOSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360612
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 39315528
(3S)-3-hydroxy-7-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 92502313
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
CID 95278271
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
CID 84628063

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (CID 124886760) is (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is Cc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1ccccc1F.
What is the InChIKey of (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is PIRKEIPAYZHHEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-10-5-4-7-12-15(10)19-16(21)17(12,22)9-14(20)11-6-2-3-8-13(11)18/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 124886760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).