(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one

C17H16FNO3 — CID 132608894

IUPAC(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
SMILESCOc1cc(OC)cc([C@@]2(F)C(=O)N(C)c3ccccc32)c1
InChIInChI=1S/C17H16FNO3/c1-19-15-7-5-4-6-14(15)17(18,16(19)20)11-8-12(21-2)10-13(9-11)22-3/h4-10H,1-3H3/t17-/m0/s1
InChIKeyGTWDTUSSFXVGHV-KRWDZBQOSA-N
MW301.32 g/mol
LogP2.89
Rot. Bonds3

About (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one

(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one (PubChem CID 132608894) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
PubChem CID132608894
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
SMILESCOc1cc(OC)cc([C@@]2(F)C(=O)N(C)c3ccccc32)c1
InChIInChI=1S/C17H16FNO3/c1-19-15-7-5-4-6-14(15)17(18,16(19)20)11-8-12(21-2)10-13(9-11)22-3/h4-10H,1-3H3/t17-/m0/s1
InChIKeyGTWDTUSSFXVGHV-KRWDZBQOSA-N
XLogP2.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
CID 135062562
3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
CID 2893867
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584750
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one
CID 151364921
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
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
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
CID 164672152

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one?
The IUPAC name of (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one (CID 132608894) is (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one.
What is the SMILES notation for (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one?
The canonical SMILES for (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one is COc1cc(OC)cc([C@@]2(F)C(=O)N(C)c3ccccc32)c1.
What is the InChIKey of (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one?
The InChIKey is GTWDTUSSFXVGHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-19-15-7-5-4-6-14(15)17(18,16(19)20)11-8-12(21-2)10-13(9-11)22-3/h4-10H,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one?
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one has a molecular weight of 301.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one is sourced from PubChem (CID 132608894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).