N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide

C16H18FN3O3 — CID 162666524

IUPACN-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H18FN3O3/c1-3-18(2)15(22)20-11-10-19(16(20)23)14(21)9-6-12-4-7-13(17)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+
InChIKeyQDJKXEPNDGPKNZ-RMKNXTFCSA-N
MW319.34 g/mol
LogP2.17
Rot. Bonds3

About N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide

N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 162666524) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide
PubChem CID162666524
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H18FN3O3/c1-3-18(2)15(22)20-11-10-19(16(20)23)14(21)9-6-12-4-7-13(17)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+
InChIKeyQDJKXEPNDGPKNZ-RMKNXTFCSA-N
XLogP2.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide (CID 162666524) is N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide is CCN(C)C(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2)C1=O.
What is the InChIKey of N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is QDJKXEPNDGPKNZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-3-18(2)15(22)20-11-10-19(16(20)23)14(21)9-6-12-4-7-13(17)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+.
What are the key properties of N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide?
N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-methyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 162666524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).