N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C18H21FN4O5 — CID 2457986

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H21FN4O5/c1-11(2)8-22-16(26)17(27)23(18(22)28)10-15(25)21(3)9-14(24)20-13-6-4-12(19)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,24)
InChIKeyUEPPNLMQXHCWEW-UHFFFAOYSA-N
MW392.39 g/mol
LogP0.67
Rot. Bonds7

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2457986) has the molecular formula C18H21FN4O5 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2457986
Molecular FormulaC18H21FN4O5
Molecular Weight392.39 g/mol
Exact Mass392.15
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H21FN4O5/c1-11(2)8-22-16(26)17(27)23(18(22)28)10-15(25)21(3)9-14(24)20-13-6-4-12(19)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,24)
InChIKeyUEPPNLMQXHCWEW-UHFFFAOYSA-N
XLogP0.67
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2457986) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(F)cc2)C1=O.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is UEPPNLMQXHCWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O5/c1-11(2)8-22-16(26)17(27)23(18(22)28)10-15(25)21(3)9-14(24)20-13-6-4-12(19)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 392.39 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2457986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).