[2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate

C17H15ClN2O4 — CID 2503788

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H15ClN2O4/c18-14-8-4-7-13(9-14)16(22)24-11-15(21)20-17(23)19-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,19,20,21,23)
InChIKeyRKYDCPLZFQQRBV-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.52
Rot. Bonds5

About [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate

[2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate (PubChem CID 2503788) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
PubChem CID2503788
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H15ClN2O4/c18-14-8-4-7-13(9-14)16(22)24-11-15(21)20-17(23)19-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,19,20,21,23)
InChIKeyRKYDCPLZFQQRBV-UHFFFAOYSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate (CID 2503788) is [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate is O=C(COC(=O)c1cccc(Cl)c1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
The InChIKey is RKYDCPLZFQQRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c18-14-8-4-7-13(9-14)16(22)24-11-15(21)20-17(23)19-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,19,20,21,23).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate has a molecular weight of 346.77 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate is sourced from PubChem (CID 2503788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).