N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide

C14H16FN3O3 — CID 136566541

IUPACN-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NC2(c3ccccc3F)COC2)NC1=O
InChIInChI=1S/C14H16FN3O3/c1-18-6-11(16-13(18)20)12(19)17-14(7-21-8-14)9-4-2-3-5-10(9)15/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyGCSRCWYUHDHAFV-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.19
Rot. Bonds3

About N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide

N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 136566541) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID136566541
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC NameN-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NC2(c3ccccc3F)COC2)NC1=O
InChIInChI=1S/C14H16FN3O3/c1-18-6-11(16-13(18)20)12(19)17-14(7-21-8-14)9-4-2-3-5-10(9)15/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyGCSRCWYUHDHAFV-UHFFFAOYSA-N
XLogP0.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10285989, Example 212
CID 145996278
N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide
CID 134795808
N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide
CID 134797135
N-[(4-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide
CID 134799202
1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide
CID 134792996
(2R)-N-(1-methoxy-2-phenylpropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71975993
2-(dimethylamino)-N-[(2R)-1-methoxy-2-phenylpropan-2-yl]acetamide
CID 99637071
2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 122174916
(2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 136587033
N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide
CID 164636927
(5S)-3-(2,5-difluorophenyl)-N-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 57987089
(5S)-3-(2,5-difluorophenyl)-N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-5-(hydroxymethyl)-5-phenyl-2H-pyrrole-1-carboxamide
CID 69004107

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 136566541) is N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NC2(c3ccccc3F)COC2)NC1=O.
What is the InChIKey of N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GCSRCWYUHDHAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-18-6-11(16-13(18)20)12(19)17-14(7-21-8-14)9-4-2-3-5-10(9)15/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 136566541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).