N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H20FN3O3 — CID 71877832

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)N1
InChIInChI=1S/C16H20FN3O3/c17-12-3-1-11(2-4-12)16(5-7-23-8-6-16)10-19-14(21)13-9-18-15(22)20-13/h1-4,13H,5-10H2,(H,19,21)(H2,18,20,22)
InChIKeyNINFQIXMJZEXSI-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.67
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 71877832) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID71877832
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)N1
InChIInChI=1S/C16H20FN3O3/c17-12-3-1-11(2-4-12)16(5-7-23-8-6-16)10-19-14(21)13-9-18-15(22)20-13/h1-4,13H,5-10H2,(H,19,21)(H2,18,20,22)
InChIKeyNINFQIXMJZEXSI-UHFFFAOYSA-N
XLogP0.67
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94614538
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
CID 27450003
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 71877832) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)N1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is NINFQIXMJZEXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-12-3-1-11(2-4-12)16(5-7-23-8-6-16)10-19-14(21)13-9-18-15(22)20-13/h1-4,13H,5-10H2,(H,19,21)(H2,18,20,22).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71877832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).