3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

C14H13F4N3O3 — CID 70708571

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H13F4N3O3/c15-8-1-2-9(14(16,17)18)7(5-8)6-19-11(22)4-3-10-12(23)21-13(24)20-10/h1-2,5,10H,3-4,6H2,(H,19,22)(H2,20,21,23,24)
InChIKeySDBUPZHXOFMNTP-UHFFFAOYSA-N
MW347.27 g/mol
LogP1.45
Rot. Bonds5

About 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 70708571) has the molecular formula C14H13F4N3O3 and a molecular weight of 347.27 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID70708571
Molecular FormulaC14H13F4N3O3
Molecular Weight347.27 g/mol
Exact Mass347.09
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H13F4N3O3/c15-8-1-2-9(14(16,17)18)7(5-8)6-19-11(22)4-3-10-12(23)21-13(24)20-10/h1-2,5,10H,3-4,6H2,(H,19,22)(H2,20,21,23,24)
InChIKeySDBUPZHXOFMNTP-UHFFFAOYSA-N
XLogP1.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
CID 70767719
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70709981
N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
CID 63794479
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 74246709
3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 70730130
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 39347905
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95092760
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]propanamide
CID 42940731

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (CID 70708571) is 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCC1NC(=O)NC1=O)NCc1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is SDBUPZHXOFMNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O3/c15-8-1-2-9(14(16,17)18)7(5-8)6-19-11(22)4-3-10-12(23)21-13(24)20-10/h1-2,5,10H,3-4,6H2,(H,19,22)(H2,20,21,23,24).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 347.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 70708571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).