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

C16H19ClN2O4 — CID 2520948

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19ClN2O4/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)
InChIKeyMKTLTPUSTCWNMM-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.19
Rot. Bonds5

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

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2520948) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2520948
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19ClN2O4/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)
InChIKeyMKTLTPUSTCWNMM-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3657721
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579280
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579279
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 8851361
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011250
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579597
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620254
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520904
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667447
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589718

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2520948) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is MKTLTPUSTCWNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/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-chlorophenyl)acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 338.79 g/mol, XLogP of 2.19, 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-chlorophenyl)acetate is sourced from PubChem (CID 2520948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).