N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide

C19H18Cl2N4O3 — CID 56505008

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC(C)(c2ccccn2)C1=O
InChIInChI=1S/C19H18Cl2N4O3/c1-19(15-5-3-4-8-22-15)17(27)25(18(28)23-19)11-16(26)24(2)10-12-6-7-13(20)14(21)9-12/h3-9H,10-11H2,1-2H3,(H,23,28)
InChIKeyPWJNBNJFLZAVAC-UHFFFAOYSA-N
MW421.28 g/mol
LogP2.81
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide (PubChem CID 56505008) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
PubChem CID56505008
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC(C)(c2ccccn2)C1=O
InChIInChI=1S/C19H18Cl2N4O3/c1-19(15-5-3-4-8-22-15)17(27)25(18(28)23-19)11-16(26)24(2)10-12-6-7-13(20)14(21)9-12/h3-9H,10-11H2,1-2H3,(H,23,28)
InChIKeyPWJNBNJFLZAVAC-UHFFFAOYSA-N
XLogP2.81
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 55443935
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019
N-(2,5-dichlorophenyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56500870
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571645
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 78727003
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(naphthalen-2-ylmethyl)acetamide
CID 46663971
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
N-(2-chloro-4-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 97021769
N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24523481
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18099226

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide (CID 56505008) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC(C)(c2ccccn2)C1=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is PWJNBNJFLZAVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3/c1-19(15-5-3-4-8-22-15)17(27)25(18(28)23-19)11-16(26)24(2)10-12-6-7-13(20)14(21)9-12/h3-9H,10-11H2,1-2H3,(H,23,28).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 421.28 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 56505008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).