methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate

C14H15ClN2O4 — CID 47010255

IUPACmethyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)C(C)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H15ClN2O4/c1-9-13(19)16(8-7-12(18)21-2)14(20)17(9)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHZOWIBAWCJYVBW-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.06
Rot. Bonds4

About methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate

methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate (PubChem CID 47010255) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate
PubChem CID47010255
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Namemethyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)C(C)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H15ClN2O4/c1-9-13(19)16(8-7-12(18)21-2)14(20)17(9)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHZOWIBAWCJYVBW-UHFFFAOYSA-N
XLogP2.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate (CID 47010255) is methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate is COC(=O)CCN1C(=O)C(C)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate?
The InChIKey is HZOWIBAWCJYVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-9-13(19)16(8-7-12(18)21-2)14(20)17(9)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate?
methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate has a molecular weight of 310.74 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 47010255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).