[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C23H22FNO4 — CID 8575012

IUPAC[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)C3(c4ccc(F)cc4)CCCC3)ccc21
InChIInChI=1S/C23H22FNO4/c1-25-19-9-4-15(12-16(19)13-21(25)27)20(26)14-29-22(28)23(10-2-3-11-23)17-5-7-18(24)8-6-17/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKeyWFXIZTZGYCWEKO-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.58
Rot. Bonds5

About [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8575012) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8575012
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)C3(c4ccc(F)cc4)CCCC3)ccc21
InChIInChI=1S/C23H22FNO4/c1-25-19-9-4-15(12-16(19)13-21(25)27)20(26)14-29-22(28)23(10-2-3-11-23)17-5-7-18(24)8-6-17/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKeyWFXIZTZGYCWEKO-UHFFFAOYSA-N
XLogP3.58
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9001028
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866218
[2-(3-bromophenyl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23822314
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387316
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8603218
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 55445266
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309792
5-(1-aminocyclopentyl)-1-methyl-3H-indol-2-one
CID 82288908
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9060172
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 9001509
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999661

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 8575012) is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is CN1C(=O)Cc2cc(C(=O)COC(=O)C3(c4ccc(F)cc4)CCCC3)ccc21.
What is the InChIKey of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is WFXIZTZGYCWEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-25-19-9-4-15(12-16(19)13-21(25)27)20(26)14-29-22(28)23(10-2-3-11-23)17-5-7-18(24)8-6-17/h4-9,12H,2-3,10-11,13-14H2,1H3.
What are the key properties of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 395.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8575012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).