N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide

C16H13F3N4O5 — CID 7999061

IUPACN-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C16H13F3N4O5/c1-2-5-22-14(26)15(27)23(16(22)28)7-11(25)20-6-10(24)21-9-4-3-8(17)12(18)13(9)19/h2-4H,1,5-7H2,(H,20,25)(H,21,24)
InChIKeyVDAZLQCHKMGRMT-UHFFFAOYSA-N
MW398.30 g/mol
LogP0.14
Rot. Bonds7

About N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide

N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide (PubChem CID 7999061) has the molecular formula C16H13F3N4O5 and a molecular weight of 398.30 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide
PubChem CID7999061
Molecular FormulaC16H13F3N4O5
Molecular Weight398.30 g/mol
Exact Mass398.08
IUPAC NameN-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C16H13F3N4O5/c1-2-5-22-14(26)15(27)23(16(22)28)7-11(25)20-6-10(24)21-9-4-3-8(17)12(18)13(9)19/h2-4H,1,5-7H2,(H,20,25)(H,21,24)
InChIKeyVDAZLQCHKMGRMT-UHFFFAOYSA-N
XLogP0.14
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807414
methyl 4-methyl-3-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]benzoate
CID 7807316
2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 40987532
3-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 55500082
N-(2-methyl-4-propan-2-yloxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51129731
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2654454
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8888905
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
2-(2-methylprop-2-enylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 7945322
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 17390408
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
CID 8741884

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide (CID 7999061) is N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide is C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide?
The InChIKey is VDAZLQCHKMGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O5/c1-2-5-22-14(26)15(27)23(16(22)28)7-11(25)20-6-10(24)21-9-4-3-8(17)12(18)13(9)19/h2-4H,1,5-7H2,(H,20,25)(H,21,24).
What are the key properties of N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide?
N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide has a molecular weight of 398.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 7999061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).