[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate

C18H16FNO4 — CID 98185240

IUPAC[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate
SMILESCOc1ccc2c(c1)NC(=O)[C@H]2OC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H16FNO4/c1-23-13-7-8-14-15(10-13)20-18(22)17(14)24-16(21)9-4-11-2-5-12(19)6-3-11/h2-3,5-8,10,17H,4,9H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyFWVVTMMKBGJLDM-KRWDZBQOSA-N
MW329.33 g/mol
LogP3.00
Rot. Bonds5

About [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate

[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate (PubChem CID 98185240) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate
PubChem CID98185240
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate
SMILESCOc1ccc2c(c1)NC(=O)[C@H]2OC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H16FNO4/c1-23-13-7-8-14-15(10-13)20-18(22)17(14)24-16(21)9-4-11-2-5-12(19)6-3-11/h2-3,5-8,10,17H,4,9H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyFWVVTMMKBGJLDM-KRWDZBQOSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate 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 [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate (CID 98185240) is [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate is COc1ccc2c(c1)NC(=O)[C@H]2OC(=O)CCc1ccc(F)cc1.
What is the InChIKey of [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate?
The InChIKey is FWVVTMMKBGJLDM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-23-13-7-8-14-15(10-13)20-18(22)17(14)24-16(21)9-4-11-2-5-12(19)6-3-11/h2-3,5-8,10,17H,4,9H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate?
[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate has a molecular weight of 329.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 98185240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).