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

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

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

Launch Full Analysis

Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
3-[(2-Chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2372698
1-[(2-chlorophenyl)methyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 2726677
3-((4-Chlorophenyl)methyl)-2-thioxo-4-imidazolidinone
CID 2726678
3-[(3-Chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726683
2-[3-(3-Chlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile
CID 2767592
Ethyl 2-[3-(2-chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2767597
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
CID 4785700

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).