1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide

C12H11Cl2N3O4 — CID 70622707

IUPAC1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide
SMILESCOCNC(=O)C1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2N3O4/c1-21-5-15-10(18)9-11(19)17(12(20)16-9)8-3-6(13)2-7(14)4-8/h2-4,9H,5H2,1H3,(H,15,18)(H,16,20)
InChIKeyMVUWGVBSRNHFFM-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.14
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide

1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide (PubChem CID 70622707) has the molecular formula C12H11Cl2N3O4 and a molecular weight of 332.14 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide
PubChem CID70622707
Molecular FormulaC12H11Cl2N3O4
Molecular Weight332.14 g/mol
Exact Mass331.01
IUPAC Name1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide
SMILESCOCNC(=O)C1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2N3O4/c1-21-5-15-10(18)9-11(19)17(12(20)16-9)8-3-6(13)2-7(14)4-8/h2-4,9H,5H2,1H3,(H,15,18)(H,16,20)
InChIKeyMVUWGVBSRNHFFM-UHFFFAOYSA-N
XLogP1.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

Iprodione
CID 37517
1-Imidazolidinecarboxamide, N-(3,5-dichlorophenyl)-3-(1-methylethyl)-2,4-dioxo-
CID 149013
3-(3,5-Dichlorophenyl)-2,4-imidazolidinedione
CID 168691
1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide
CID 47133353
N-(3,5-Dichlorophenyl)-2-[[[(1-methylethyl)amino]carbonyl]amino]acetamide
CID 113001370
N-(3,5-Dichlorophenyl)-2,5-dioxoimidazolidine-1-carboxamide
CID 139596644
3-[(2,5-Dichloro-phenylamino)-methyl]-5,5-dimethyl-imidazolidine-2,4-dione
CID 646337
(5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 137468159
N-(4-chlorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 2195940
1-(4-Chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4784743
N-(3,5-dichlorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2381484

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide (CID 70622707) is 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide is COCNC(=O)C1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide?
The InChIKey is MVUWGVBSRNHFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O4/c1-21-5-15-10(18)9-11(19)17(12(20)16-9)8-3-6(13)2-7(14)4-8/h2-4,9H,5H2,1H3,(H,15,18)(H,16,20).
What are the key properties of 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide?
1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide has a molecular weight of 332.14 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-(methoxymethyl)-2,5-dioxoimidazolidine-4-carboxamide is sourced from PubChem (CID 70622707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).