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

C18H15ClN2O4 — CID 2347763

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O4/c19-14-6-1-12(2-7-14)3-10-17(23)25-11-16(22)21-15-8-4-13(5-9-15)18(20)24/h1-10H,11H2,(H2,20,24)(H,21,22)/b10-3+
InChIKeyVDYMVXAEVYHSNE-XCVCLJGOSA-N
MW358.78 g/mol
LogP2.63
Rot. Bonds6

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

[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate (PubChem CID 2347763) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
PubChem CID2347763
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN2O4/c19-14-6-1-12(2-7-14)3-10-17(23)25-11-16(22)21-15-8-4-13(5-9-15)18(20)24/h1-10H,11H2,(H2,20,24)(H,21,22)/b10-3+
InChIKeyVDYMVXAEVYHSNE-XCVCLJGOSA-N
XLogP2.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate (CID 2347763) is [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is VDYMVXAEVYHSNE-XCVCLJGOSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-14-6-1-12(2-7-14)3-10-17(23)25-11-16(22)21-15-8-4-13(5-9-15)18(20)24/h1-10H,11H2,(H2,20,24)(H,21,22)/b10-3+.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate?
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 358.78 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 2347763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).