[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate

C15H17ClN2O4 — CID 2629249

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17ClN2O4/c16-11-7-5-10(6-8-11)14(20)22-9-13(19)18-15(21)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,17,18,19,21)
InChIKeyHGHVCQPZPYPTQH-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.27
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate (PubChem CID 2629249) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate
PubChem CID2629249
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17ClN2O4/c16-11-7-5-10(6-8-11)14(20)22-9-13(19)18-15(21)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,17,18,19,21)
InChIKeyHGHVCQPZPYPTQH-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate (CID 2629249) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate is O=C(COC(=O)c1ccc(Cl)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate?
The InChIKey is HGHVCQPZPYPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c16-11-7-5-10(6-8-11)14(20)22-9-13(19)18-15(21)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,17,18,19,21).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate has a molecular weight of 324.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate is sourced from PubChem (CID 2629249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).