[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C16H19FN2O4 — CID 3511518

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19FN2O4/c17-12-7-5-11(6-8-12)9-15(21)23-10-14(20)19-16(22)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,18,19,20,22)
InChIKeyVTZSEDLMJJQRHM-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.68
Rot. Bonds5

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 3511518) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID3511518
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19FN2O4/c17-12-7-5-11(6-8-12)9-15(21)23-10-14(20)19-16(22)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,18,19,20,22)
InChIKeyVTZSEDLMJJQRHM-UHFFFAOYSA-N
XLogP1.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511447
2-(Cyclohexylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759347
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 8661334
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661406
[2-(Cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2371758
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2415722
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759008
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866208
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate
CID 8590507
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 8900354
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516943
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate
CID 2523776

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 3511518) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is VTZSEDLMJJQRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c17-12-7-5-11(6-8-12)9-15(21)23-10-14(20)19-16(22)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,18,19,20,22).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 322.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 3511518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).