2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide

C16H17F2N3O5 — CID 2498787

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C16H17F2N3O5/c1-2-3-8-20-13(23)14(24)21(16(20)25)9-12(22)19-10-4-6-11(7-5-10)26-15(17)18/h4-7,15H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyRRSUJIILTFVQBP-UHFFFAOYSA-N
MW369.32 g/mol
LogP1.82
Rot. Bonds8

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 2498787) has the molecular formula C16H17F2N3O5 and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID2498787
Molecular FormulaC16H17F2N3O5
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C16H17F2N3O5/c1-2-3-8-20-13(23)14(24)21(16(20)25)9-12(22)19-10-4-6-11(7-5-10)26-15(17)18/h4-7,15H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyRRSUJIILTFVQBP-UHFFFAOYSA-N
XLogP1.82
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7819637
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2677187
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592169
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342048
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2498407
2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 41123926
N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide
CID 8626617
N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626264
N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide
CID 8626634
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2409969

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide (CID 2498787) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is RRSUJIILTFVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O5/c1-2-3-8-20-13(23)14(24)21(16(20)25)9-12(22)19-10-4-6-11(7-5-10)26-15(17)18/h4-7,15H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 369.32 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2498787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).