2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide

C18H13Cl2N3O4 — CID 2418887

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H13Cl2N3O4/c19-12-6-13(20)8-14(7-12)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyPPOBEKKCSHIOIF-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 2418887) has the molecular formula C18H13Cl2N3O4 and a molecular weight of 406.23 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide
PubChem CID2418887
Molecular FormulaC18H13Cl2N3O4
Molecular Weight406.23 g/mol
Exact Mass405.03
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H13Cl2N3O4/c19-12-6-13(20)8-14(7-12)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyPPOBEKKCSHIOIF-UHFFFAOYSA-N
XLogP2.92
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-[2-(Butylamino)ethyl]-8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23383556
3-(3,5-Dichlorophenyl)-2,4-imidazolidinedione
CID 168691
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190599
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(ethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190600
8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190604
N-(3,5-Dichlorophenyl)-2,5-dioxoimidazolidine-1-carboxamide
CID 139596644
8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190598
6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905881
3-(3-Chlorophenyl)-1,3-diazaspiro(4.5)decane-2,4-dione
CID 935328
2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2469805

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide (CID 2418887) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is PPOBEKKCSHIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O4/c19-12-6-13(20)8-14(7-12)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 406.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 2418887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).