(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one

C18H15FN2O3 — CID 139095917

IUPAC(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@](O)([C@]2(F)C(=O)N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H15FN2O3/c1-20-13-9-5-3-7-11(13)17(19,15(20)22)18(24)12-8-4-6-10-14(12)21(2)16(18)23/h3-10,24H,1-2H3/t17-,18+/m1/s1
InChIKeyUQUSRMFWFQDMMF-MSOLQXFVSA-N
MW326.33 g/mol
LogP1.69
Rot. Bonds1

About (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one

(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one (PubChem CID 139095917) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
PubChem CID139095917
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@](O)([C@]2(F)C(=O)N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H15FN2O3/c1-20-13-9-5-3-7-11(13)17(19,15(20)22)18(24)12-8-4-6-10-14(12)21(2)16(18)23/h3-10,24H,1-2H3/t17-,18+/m1/s1
InChIKeyUQUSRMFWFQDMMF-MSOLQXFVSA-N
XLogP1.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one with MolForge

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Related Compounds

(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
CID 135062562
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile
CID 101437663
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea
CID 54082692
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one?
The IUPAC name of (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one (CID 139095917) is (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one is CN1C(=O)[C@](O)([C@]2(F)C(=O)N(C)c3ccccc32)c2ccccc21.
What is the InChIKey of (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one?
The InChIKey is UQUSRMFWFQDMMF-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-20-13-9-5-3-7-11(13)17(19,15(20)22)18(24)12-8-4-6-10-14(12)21(2)16(18)23/h3-10,24H,1-2H3/t17-,18+/m1/s1.
What are the key properties of (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one?
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one has a molecular weight of 326.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 139095917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).