[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C20H23FN2O3 — CID 42980138

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESN#CC1(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)CCCC1
InChIInChI=1S/C20H23FN2O3/c21-16-7-5-6-15(12-16)20(10-3-4-11-20)18(25)26-13-17(24)23-19(14-22)8-1-2-9-19/h5-7,12H,1-4,8-11,13H2,(H,23,24)
InChIKeyNUSNBORBFPBWEH-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.13
Rot. Bonds5

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 42980138) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID42980138
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESN#CC1(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)CCCC1
InChIInChI=1S/C20H23FN2O3/c21-16-7-5-6-15(12-16)20(10-3-4-11-20)18(25)26-13-17(24)23-19(14-22)8-1-2-9-19/h5-7,12H,1-4,8-11,13H2,(H,23,24)
InChIKeyNUSNBORBFPBWEH-UHFFFAOYSA-N
XLogP3.13
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526239
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526166
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2097143
dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 16526186
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7858366
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7041919
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980645
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7824908

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 42980138) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is N#CC1(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is NUSNBORBFPBWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-7-5-6-15(12-16)20(10-3-4-11-20)18(25)26-13-17(24)23-19(14-22)8-1-2-9-19/h5-7,12H,1-4,8-11,13H2,(H,23,24).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 358.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 42980138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).