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

C17H20FN3O4 — CID 46994502

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C17H20FN3O4/c18-13-5-3-12(4-6-13)9-20(10-14-2-1-7-25-14)16(23)11-21-15(22)8-19-17(21)24/h3-6,14H,1-2,7-11H2,(H,19,24)
InChIKeyALBJVZCSFRFTKU-UHFFFAOYSA-N
MW349.36 g/mol
LogP0.89
Rot. Bonds6

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

2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46994502) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46994502
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C17H20FN3O4/c18-13-5-3-12(4-6-13)9-20(10-14-2-1-7-25-14)16(23)11-21-15(22)8-19-17(21)24/h3-6,14H,1-2,7-11H2,(H,19,24)
InChIKeyALBJVZCSFRFTKU-UHFFFAOYSA-N
XLogP0.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 19119996
N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19119995
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55899647
N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 19119950
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 11418149
N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 97270295
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273
(E)-N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 40851049
N-[[4-(dimethylamino)phenyl]methyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 166200662
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3224942
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940757

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 46994502) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1C(=O)CNC1=O)N(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ALBJVZCSFRFTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c18-13-5-3-12(4-6-13)9-20(10-14-2-1-7-25-14)16(23)11-21-15(22)8-19-17(21)24/h3-6,14H,1-2,7-11H2,(H,19,24).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 349.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46994502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).