[(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

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Related Compounds

3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
(2-tert-butyl-4-methoxyphenyl) 3-(4-fluorophenyl)propanoate
CID 135369086
methyl 3-[4-[C-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)-N-phenylcarbonimidoyl]phenyl]propanoate
CID 91469207
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 11292180
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271

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).