2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide

C19H16Cl2N4O5 — CID 46638683

IUPAC2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16Cl2N4O5/c1-10-3-5-12(8-15(10)25(29)30)22-16(26)9-24-17(27)19(2,23-18(24)28)11-4-6-13(20)14(21)7-11/h3-8H,9H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyUEGKKYFNKCWDNM-UHFFFAOYSA-N
MW451.27 g/mol
LogP3.62
Rot. Bonds5

About 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide

2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 46638683) has the molecular formula C19H16Cl2N4O5 and a molecular weight of 451.27 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID46638683
Molecular FormulaC19H16Cl2N4O5
Molecular Weight451.27 g/mol
Exact Mass450.05
IUPAC Name2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16Cl2N4O5/c1-10-3-5-12(8-15(10)25(29)30)22-16(26)9-24-17(27)19(2,23-18(24)28)11-4-6-13(20)14(21)7-11/h3-8H,9H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyUEGKKYFNKCWDNM-UHFFFAOYSA-N
XLogP3.62
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 42982770
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 3873765
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2488720
N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7916485
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 94752282
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2577122
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 40779068

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide (CID 46638683) is 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is UEGKKYFNKCWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O5/c1-10-3-5-12(8-15(10)25(29)30)22-16(26)9-24-17(27)19(2,23-18(24)28)11-4-6-13(20)14(21)7-11/h3-8H,9H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 451.27 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 46638683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).