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

C15H16FN3O3 — CID 87022462

IUPAC2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)CN(C2CC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c16-11-3-1-10(2-4-11)7-17-13(20)8-19-14(21)9-18(15(19)22)12-5-6-12/h1-4,12H,5-9H2,(H,17,20)
InChIKeyDPVMISITWRVNIT-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.87
Rot. Bonds5

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

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 87022462) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID87022462
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)CN(C2CC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c16-11-3-1-10(2-4-11)7-17-13(20)8-19-14(21)9-18(15(19)22)12-5-6-12/h1-4,12H,5-9H2,(H,17,20)
InChIKeyDPVMISITWRVNIT-UHFFFAOYSA-N
XLogP0.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 87022512
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87022837
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014680
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 87022626
N-cyclohexyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022438
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 87022541
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022719
1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
CID 167776034
N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905972
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 87022462) is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)CN(C2CC2)C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is DPVMISITWRVNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-11-3-1-10(2-4-11)7-17-13(20)8-19-14(21)9-18(15(19)22)12-5-6-12/h1-4,12H,5-9H2,(H,17,20).
What are the key properties of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 305.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 87022462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).