7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one

C19H21F2NO3 — CID 143635730

IUPAC7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one
SMILESCC1(C)C(=O)N(C(c2cccc(F)c2)C(O)CO)C2=C1CCC=C2F
InChIInChI=1S/C19H21F2NO3/c1-19(2)13-7-4-8-14(21)17(13)22(18(19)25)16(15(24)10-23)11-5-3-6-12(20)9-11/h3,5-6,8-9,15-16,23-24H,4,7,10H2,1-2H3
InChIKeyGKOKTHDDHKVKQL-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.99
Rot. Bonds4

About 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one

7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one (PubChem CID 143635730) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one
PubChem CID143635730
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one
SMILESCC1(C)C(=O)N(C(c2cccc(F)c2)C(O)CO)C2=C1CCC=C2F
InChIInChI=1S/C19H21F2NO3/c1-19(2)13-7-4-8-14(21)17(13)22(18(19)25)16(15(24)10-23)11-5-3-6-12(20)9-11/h3,5-6,8-9,15-16,23-24H,4,7,10H2,1-2H3
InChIKeyGKOKTHDDHKVKQL-UHFFFAOYSA-N
XLogP2.99
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one?
The IUPAC name of 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one (CID 143635730) is 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one is CC1(C)C(=O)N(C(c2cccc(F)c2)C(O)CO)C2=C1CCC=C2F.
What is the InChIKey of 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one?
The InChIKey is GKOKTHDDHKVKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-19(2)13-7-4-8-14(21)17(13)22(18(19)25)16(15(24)10-23)11-5-3-6-12(20)9-11/h3,5-6,8-9,15-16,23-24H,4,7,10H2,1-2H3.
What are the key properties of 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one?
7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one has a molecular weight of 349.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethyl-4,5-dihydroindol-2-one is sourced from PubChem (CID 143635730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).