(3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one

C16H14FNO2 — CID 102389183

IUPAC(3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one
SMILESCO[C@]1(c2ccccc2)C(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C16H14FNO2/c1-18-14-9-8-12(17)10-13(14)16(20-2,15(18)19)11-6-4-3-5-7-11/h3-10H,1-2H3/t16-/m0/s1
InChIKeyYUROAJGFLBLUAO-INIZCTEOSA-N
MW271.29 g/mol
LogP2.69
Rot. Bonds2

About (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one

(3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one (PubChem CID 102389183) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one.

Molecular Properties

Compound Name(3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one
PubChem CID102389183
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one
SMILESCO[C@]1(c2ccccc2)C(=O)N(C)c2ccc(F)cc21
InChIInChI=1S/C16H14FNO2/c1-18-14-9-8-12(17)10-13(14)16(20-2,15(18)19)11-6-4-3-5-7-11/h3-10H,1-2H3/t16-/m0/s1
InChIKeyYUROAJGFLBLUAO-INIZCTEOSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-Allyl-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
1-methyl-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl acetate
CID 3132850
N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetamide
CID 1249916
3-Hydroxy-1-phenyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 3289664
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
1'-(2-(4-Fluorophenyl)-2-oxoethyl)-spiro[[1,3]-dioxolane-2,3'-indolin]-2'-one
CID 3239023
1'-(2-(3-Fluorophenyl)-2-oxoethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 134134820
1'-allyl-5'-butylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9177725
1'-(2-Methylallyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 691241

Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one?
The IUPAC name of (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one (CID 102389183) is (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one.
What is the SMILES notation for (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one?
The canonical SMILES for (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one is CO[C@]1(c2ccccc2)C(=O)N(C)c2ccc(F)cc21.
What is the InChIKey of (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one?
The InChIKey is YUROAJGFLBLUAO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-18-14-9-8-12(17)10-13(14)16(20-2,15(18)19)11-6-4-3-5-7-11/h3-10H,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one?
(3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one has a molecular weight of 271.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one is sourced from PubChem (CID 102389183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).