[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

C19H17ClN2O4 — CID 2516150

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc(Cl)cc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H17ClN2O4/c20-16-9-6-14(7-10-16)8-11-18(24)26-13-17(23)22-19(25)21-12-15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,21,22,23,25)/b11-8+
InChIKeyZDXOYZCQNPJZAL-DHZHZOJOSA-N
MW372.81 g/mol
LogP2.92
Rot. Bonds6

About [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate (PubChem CID 2516150) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
PubChem CID2516150
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc(Cl)cc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H17ClN2O4/c20-16-9-6-14(7-10-16)8-11-18(24)26-13-17(23)22-19(25)21-12-15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,21,22,23,25)/b11-8+
InChIKeyZDXOYZCQNPJZAL-DHZHZOJOSA-N
XLogP2.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate (CID 2516150) is [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is ZDXOYZCQNPJZAL-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-16-9-6-14(7-10-16)8-11-18(24)26-13-17(23)22-19(25)21-12-15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,21,22,23,25)/b11-8+.
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 372.81 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 2516150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).