N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide

C21H22FN3O4 — CID 46969735

IUPACN-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C21H22FN3O4/c1-13(29-17-6-4-5-15(22)11-17)18(26)23-16-9-7-14(8-10-16)12-25-19(27)21(2,3)24-20(25)28/h4-11,13H,12H2,1-3H3,(H,23,26)(H,24,28)
InChIKeySYBMYCFGXOHIKV-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.06
Rot. Bonds6

About N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide

N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide (PubChem CID 46969735) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide
PubChem CID46969735
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C21H22FN3O4/c1-13(29-17-6-4-5-15(22)11-17)18(26)23-16-9-7-14(8-10-16)12-25-19(27)21(2,3)24-20(25)28/h4-11,13H,12H2,1-3H3,(H,23,26)(H,24,28)
InChIKeySYBMYCFGXOHIKV-UHFFFAOYSA-N
XLogP3.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide with MolForge

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209779
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703323
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
(2R)-2-(3-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7781817
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide (CID 46969735) is N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide is CC(Oc1cccc(F)c1)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide?
The InChIKey is SYBMYCFGXOHIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-13(29-17-6-4-5-15(22)11-17)18(26)23-16-9-7-14(8-10-16)12-25-19(27)21(2,3)24-20(25)28/h4-11,13H,12H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide?
N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide has a molecular weight of 399.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 46969735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).