[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate

C25H26FNO5 — CID 46814270

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C25H26FNO5/c1-31-23-11-10-17(14-20(23)26)22(28)15-32-25(30)19-8-4-3-7-18(19)24(29)27-13-12-16-6-2-5-9-21(16)27/h2,5-6,9-11,14,18-19H,3-4,7-8,12-13,15H2,1H3
InChIKeyWCHQHPRYAHNBAR-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.96
Rot. Bonds6

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate (PubChem CID 46814270) has the molecular formula C25H26FNO5 and a molecular weight of 439.48 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
PubChem CID46814270
Molecular FormulaC25H26FNO5
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C25H26FNO5/c1-31-23-11-10-17(14-20(23)26)22(28)15-32-25(30)19-8-4-3-7-18(19)24(29)27-13-12-16-6-2-5-9-21(16)27/h2,5-6,9-11,14,18-19H,3-4,7-8,12-13,15H2,1H3
InChIKeyWCHQHPRYAHNBAR-UHFFFAOYSA-N
XLogP3.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate with MolForge

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Related Compounds

(2-methoxy-5-nitrophenyl)methyl 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
CID 42983235
trans-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
CID 2111160
cis-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
CID 51874280
cis-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] (1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
CID 29434531
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
CID 55478833
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 46613887
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
1-O-tert-butyl 2-O-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908691
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 55352067

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate (CID 46814270) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate is COc1ccc(C(=O)COC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate?
The InChIKey is WCHQHPRYAHNBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO5/c1-31-23-11-10-17(14-20(23)26)22(28)15-32-25(30)19-8-4-3-7-18(19)24(29)27-13-12-16-6-2-5-9-21(16)27/h2,5-6,9-11,14,18-19H,3-4,7-8,12-13,15H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate has a molecular weight of 439.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 46814270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).