N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C14H11F2N3O4 — CID 7807414

IUPACN-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O
InChIInChI=1S/C14H11F2N3O4/c1-2-5-18-12(21)13(22)19(14(18)23)7-11(20)17-10-4-3-8(15)6-9(10)16/h2-4,6H,1,5,7H2,(H,17,20)
InChIKeyRYRQMUIUJDAVJG-UHFFFAOYSA-N
MW323.26 g/mol
LogP0.88
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 7807414) has the molecular formula C14H11F2N3O4 and a molecular weight of 323.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID7807414
Molecular FormulaC14H11F2N3O4
Molecular Weight323.26 g/mol
Exact Mass323.07
IUPAC NameN-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O
InChIInChI=1S/C14H11F2N3O4/c1-2-5-18-12(21)13(22)19(14(18)23)7-11(20)17-10-4-3-8(15)6-9(10)16/h2-4,6H,1,5,7H2,(H,17,20)
InChIKeyRYRQMUIUJDAVJG-UHFFFAOYSA-N
XLogP0.88
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide
CID 7999061
N-(2-methylsulfanylphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807482
N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51139615
N-(2-methyl-4-propan-2-yloxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51129731
N-(2,4-difluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9209393
methyl 4-methyl-3-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]benzoate
CID 7807316
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756792
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414
N-(2,4-difluorophenyl)-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51611036
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4793539

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 7807414) is N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is RYRQMUIUJDAVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O4/c1-2-5-18-12(21)13(22)19(14(18)23)7-11(20)17-10-4-3-8(15)6-9(10)16/h2-4,6H,1,5,7H2,(H,17,20).
What are the key properties of N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 323.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7807414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).