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

C19H17ClN4O5 — CID 2577122

IUPAC2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H17ClN4O5/c1-11-14(4-3-5-15(11)24(28)29)21-16(25)10-23-17(26)19(2,22-18(23)27)12-6-8-13(20)9-7-12/h3-9H,10H2,1-2H3,(H,21,25)(H,22,27)/t19-/m0/s1
InChIKeyXUSRLUJBTKOXQV-IBGZPJMESA-N
MW416.82 g/mol
LogP2.96
Rot. Bonds5

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

2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 2577122) has the molecular formula C19H17ClN4O5 and a molecular weight of 416.82 g/mol. Its IUPAC name is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID2577122
Molecular FormulaC19H17ClN4O5
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H17ClN4O5/c1-11-14(4-3-5-15(11)24(28)29)21-16(25)10-23-17(26)19(2,22-18(23)27)12-6-8-13(20)9-7-12/h3-9H,10H2,1-2H3,(H,21,25)(H,22,27)/t19-/m0/s1
InChIKeyXUSRLUJBTKOXQV-IBGZPJMESA-N
XLogP2.96
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 52.96
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-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 24659823
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2705913
N-(2,3-dimethylphenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17438209
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4664278
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180228
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7240439
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide (CID 2577122) is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is XUSRLUJBTKOXQV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17ClN4O5/c1-11-14(4-3-5-15(11)24(28)29)21-16(25)10-23-17(26)19(2,22-18(23)27)12-6-8-13(20)9-7-12/h3-9H,10H2,1-2H3,(H,21,25)(H,22,27)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 416.82 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 2577122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).