[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate

C14H12Cl2N2O4 — CID 7997083

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H12Cl2N2O4/c15-10-3-1-9(7-11(10)16)2-4-13(20)22-8-12(19)18-6-5-17-14(18)21/h1-4,7H,5-6,8H2,(H,17,21)/b4-2+
InChIKeyXEZKZMRRBOVZIK-DUXPYHPUSA-N
MW343.17 g/mol
LogP2.10
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate (PubChem CID 7997083) has the molecular formula C14H12Cl2N2O4 and a molecular weight of 343.17 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
PubChem CID7997083
Molecular FormulaC14H12Cl2N2O4
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H12Cl2N2O4/c15-10-3-1-9(7-11(10)16)2-4-13(20)22-8-12(19)18-6-5-17-14(18)21/h1-4,7H,5-6,8H2,(H,17,21)/b4-2+
InChIKeyXEZKZMRRBOVZIK-DUXPYHPUSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787148
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7804775
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737807
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 8942774
phenacyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 2528340
propyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 19177097
[2-(3,5-dichloroanilino)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 1191670
1-[2-(3,5-dichlorophenoxy)acetyl]imidazolidin-2-one
CID 7467120
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305271
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 46668878
[2-(2-fluorophenyl)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 7997303
[2-oxo-2-(pentan-3-ylamino)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 2528196

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate (CID 7997083) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate is O=C(/C=C/c1ccc(Cl)c(Cl)c1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate?
The InChIKey is XEZKZMRRBOVZIK-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4/c15-10-3-1-9(7-11(10)16)2-4-13(20)22-8-12(19)18-6-5-17-14(18)21/h1-4,7H,5-6,8H2,(H,17,21)/b4-2+.
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate has a molecular weight of 343.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate is sourced from PubChem (CID 7997083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).