2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide

C14H15FN4O4 — CID 92718268

IUPAC2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H15FN4O4/c1-8-12(21)18(7-11(20)17-13(22)16-2)14(23)19(8)10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3,(H2,16,17,20,22)/t8-/m1/s1
InChIKeyHSQHPZXCVNVKCD-MRVPVSSYSA-N
MW322.30 g/mol
LogP0.44
Rot. Bonds3

About 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide

2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 92718268) has the molecular formula C14H15FN4O4 and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID92718268
Molecular FormulaC14H15FN4O4
Molecular Weight322.30 g/mol
Exact Mass322.11
IUPAC Name2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H15FN4O4/c1-8-12(21)18(7-11(20)17-13(22)16-2)14(23)19(8)10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3,(H2,16,17,20,22)/t8-/m1/s1
InChIKeyHSQHPZXCVNVKCD-MRVPVSSYSA-N
XLogP0.44
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide (CID 92718268) is 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is HSQHPZXCVNVKCD-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15FN4O4/c1-8-12(21)18(7-11(20)17-13(22)16-2)14(23)19(8)10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3,(H2,16,17,20,22)/t8-/m1/s1.
What are the key properties of 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 322.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 92718268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).