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

C15H18ClNO3 — CID 2521019

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H18ClNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18)
InChIKeyPJMSTUXYCHABIF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.48
Rot. Bonds5

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

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2521019) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2521019
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H18ClNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18)
InChIKeyPJMSTUXYCHABIF-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2521019) is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is PJMSTUXYCHABIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 295.77 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2521019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).