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

C20H18N4O6 — CID 7180228

IUPACN-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C20H18N4O6/c1-12(25)15-5-3-4-6-16(15)21-17(26)11-23-18(27)20(2,22-19(23)28)13-7-9-14(10-8-13)24(29)30/h3-10H,11H2,1-2H3,(H,21,26)(H,22,28)/t20-/m0/s1
InChIKeyPZMVPJGJSXCZCY-FQEVSTJZSA-N
MW410.39 g/mol
LogP2.20
Rot. Bonds6

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

N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7180228) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7180228
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC NameN-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C20H18N4O6/c1-12(25)15-5-3-4-6-16(15)21-17(26)11-23-18(27)20(2,22-19(23)28)13-7-9-14(10-8-13)24(29)30/h3-10H,11H2,1-2H3,(H,21,26)(H,22,28)/t20-/m0/s1
InChIKeyPZMVPJGJSXCZCY-FQEVSTJZSA-N
XLogP2.20
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337
2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 41052245
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24565834
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
N-(4-chlorophenyl)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 55442567
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2577122
2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55516274
N-(2-bromophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2581057
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2636303

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7180228) is N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PZMVPJGJSXCZCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-12(25)15-5-3-4-6-16(15)21-17(26)11-23-18(27)20(2,22-19(23)28)13-7-9-14(10-8-13)24(29)30/h3-10H,11H2,1-2H3,(H,21,26)(H,22,28)/t20-/m0/s1.
What are the key properties of N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 410.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7180228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).