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

C18H14ClFN4O5 — CID 2577319

IUPAC2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C18H14ClFN4O5/c1-18(10-2-4-11(19)5-3-10)16(26)23(17(27)22-18)9-15(25)21-14-8-12(24(28)29)6-7-13(14)20/h2-8H,9H2,1H3,(H,21,25)(H,22,27)/t18-/m0/s1
InChIKeyMEMJTHWQJSWGID-SFHVURJKSA-N
MW420.78 g/mol
LogP2.79
Rot. Bonds5

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

2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 2577319) has the molecular formula C18H14ClFN4O5 and a molecular weight of 420.78 g/mol. Its IUPAC name is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID2577319
Molecular FormulaC18H14ClFN4O5
Molecular Weight420.78 g/mol
Exact Mass420.06
IUPAC Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C18H14ClFN4O5/c1-18(10-2-4-11(19)5-3-10)16(26)23(17(27)22-18)9-15(25)21-14-8-12(24(28)29)6-7-13(14)20/h2-8H,9H2,1H3,(H,21,25)(H,22,27)/t18-/m0/s1
InChIKeyMEMJTHWQJSWGID-SFHVURJKSA-N
XLogP2.79
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.78
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide (CID 2577319) is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide is C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O.
What is the InChIKey of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is MEMJTHWQJSWGID-SFHVURJKSA-N. The full InChI is InChI=1S/C18H14ClFN4O5/c1-18(10-2-4-11(19)5-3-10)16(26)23(17(27)22-18)9-15(25)21-14-8-12(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-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide?
2-[(4S)-4-(4-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-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 2577319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).