N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C20H18ClF2N3O3 — CID 24523481

IUPACN-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C20H18ClF2N3O3/c1-20(13-6-7-15(22)16(23)9-13)18(28)26(19(29)24-20)11-17(27)25(2)10-12-4-3-5-14(21)8-12/h3-9H,10-11H2,1-2H3,(H,24,29)
InChIKeyZCSATCCIAATJMS-UHFFFAOYSA-N
MW421.83 g/mol
LogP3.04
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 24523481) has the molecular formula C20H18ClF2N3O3 and a molecular weight of 421.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID24523481
Molecular FormulaC20H18ClF2N3O3
Molecular Weight421.83 g/mol
Exact Mass421.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C20H18ClF2N3O3/c1-20(13-6-7-15(22)16(23)9-13)18(28)26(19(29)24-20)11-17(27)25(2)10-12-4-3-5-14(21)8-12/h3-9H,10-11H2,1-2H3,(H,24,29)
InChIKeyZCSATCCIAATJMS-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 24523464
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 55443935
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 47094696
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24520498
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019
2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
CID 41075308
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 97090077
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-benzyl-N-methylacetamide
CID 7692043
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18099226
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186
N-benzyl-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52509192

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 24523481) is N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)NC(C)(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is ZCSATCCIAATJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O3/c1-20(13-6-7-15(22)16(23)9-13)18(28)26(19(29)24-20)11-17(27)25(2)10-12-4-3-5-14(21)8-12/h3-9H,10-11H2,1-2H3,(H,24,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 421.83 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 24523481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).