[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C18H17ClN2O5 — CID 2593757

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H17ClN2O5/c19-14-8-4-5-9-15(14)25-12-17(23)26-11-16(22)21-18(24)20-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,20,21,22,24)
InChIKeyDBPFSJWICRRARF-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.29
Rot. Bonds7

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 2593757) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID2593757
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H17ClN2O5/c19-14-8-4-5-9-15(14)25-12-17(23)26-11-16(22)21-18(24)20-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,20,21,22,24)
InChIKeyDBPFSJWICRRARF-UHFFFAOYSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2563950
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
N-(benzylcarbamoyl)-2-naphthalen-1-yloxyacetamide
CID 7860175
N-(benzylcarbamoyl)-2-(2-fluorophenoxy)acetamide
CID 7892017
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321524
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
[2-(benzylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485082
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2583376
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2092965
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 29498868
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847240

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 2593757) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is O=C(COC(=O)COc1ccccc1Cl)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is DBPFSJWICRRARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c19-14-8-4-5-9-15(14)25-12-17(23)26-11-16(22)21-18(24)20-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,20,21,22,24).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 376.80 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 2593757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).