[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate

C14H16ClNO3 — CID 2388528

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3/c15-12-5-1-10(2-6-12)7-8-16-13(17)9-19-14(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,16,17)
InChIKeyZVWHRTIBMBVEOD-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.95
Rot. Bonds6

About [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2388528) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2388528
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3/c15-12-5-1-10(2-6-12)7-8-16-13(17)9-19-14(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,16,17)
InChIKeyZVWHRTIBMBVEOD-UHFFFAOYSA-N
XLogP1.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate (CID 2388528) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is ZVWHRTIBMBVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-12-5-1-10(2-6-12)7-8-16-13(17)9-19-14(18)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,16,17).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 281.74 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2388528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).