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

C18H14ClFN4O5 — CID 2702285

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

2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 2702285) has the molecular formula C18H14ClFN4O5 and a molecular weight of 420.78 g/mol. Its IUPAC name is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
• PubChem CID: 2702285
• Molecular Formula: C18H14ClFN4O5
• Molecular Weight: 420.78 g/mol
• Exact Mass: 420.06
• IUPAC Name: 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
• SMILES: C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
• InChI: InChI=1S/C18H14ClFN4O5/c1-18(11-4-2-3-5-12(11)19)16(26)23(17(27)22-18)9-15(25)21-14-8-10(24(28)29)6-7-13(14)20/h2-8H,9H2,1H3,(H,21,25)(H,22,27)/t18-/m0/s1
• InChIKey: RMENPENOCDSHOW-SFHVURJKSA-N
• XLogP: 2.79
• TPSA: 121.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.78
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?

The IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide (CID 2702285) is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide.

What is the SMILES notation for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?

The canonical SMILES for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O.

What is the InChIKey of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?

The InChIKey is RMENPENOCDSHOW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H14ClFN4O5/c1-18(11-4-2-3-5-12(11)19)16(26)23(17(27)22-18)9-15(25)21-14-8-10(24(28)29)6-7-13(14)20/h2-8H,9H2,1H3,(H,21,25)(H,22,27)/t18-/m0/s1.

What are the key properties of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?

2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide has a molecular weight of 420.78 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 2702285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).