[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate

C15H17Cl2NO3 — CID 8019195

IUPAC[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3/c16-12-5-4-10(13(17)8-12)6-7-18-14(19)9-21-15(20)11-2-1-3-11/h4-5,8,11H,1-3,6-7,9H2,(H,18,19)
InChIKeyPGQDMABPZPNVPS-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.00
Rot. Bonds6

About [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 8019195) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID8019195
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3/c16-12-5-4-10(13(17)8-12)6-7-18-14(19)9-21-15(20)11-2-1-3-11/h4-5,8,11H,1-3,6-7,9H2,(H,18,19)
InChIKeyPGQDMABPZPNVPS-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate (CID 8019195) is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is PGQDMABPZPNVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-12-5-4-10(13(17)8-12)6-7-18-14(19)9-21-15(20)11-2-1-3-11/h4-5,8,11H,1-3,6-7,9H2,(H,18,19).
What are the key properties of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 330.21 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 8019195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).