2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide

C13H15ClFN3O2 — CID 4205530

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C13H15ClFN3O2/c1-16-12(19)8-18-5-4-17(13(18)20)7-9-2-3-10(15)6-11(9)14/h2-3,6H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyXSUDFWOQQKYCJY-UHFFFAOYSA-N
MW299.73 g/mol
LogP1.46
Rot. Bonds4

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 4205530) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID4205530
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C13H15ClFN3O2/c1-16-12(19)8-18-5-4-17(13(18)20)7-9-2-3-10(15)6-11(9)14/h2-3,6H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyXSUDFWOQQKYCJY-UHFFFAOYSA-N
XLogP1.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide (CID 4205530) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is XSUDFWOQQKYCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c1-16-12(19)8-18-5-4-17(13(18)20)7-9-2-3-10(15)6-11(9)14/h2-3,6H,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 299.73 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 4205530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).