5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide

C15H23FN4O5 — CID 163906457

IUPAC5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCCC(C)(CC(C)(C)CC(=O)NO)NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H23FN4O5/c1-5-15(4,8-14(2,3)6-10(21)19-25)18-13(24)20-7-9(16)11(22)17-12(20)23/h7,25H,5-6,8H2,1-4H3,(H,18,24)(H,19,21)(H,17,22,23)
InChIKeyQOIDUDVOATWZIA-UHFFFAOYSA-N
MW358.37 g/mol
LogP0.71
Rot. Bonds6

About 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 163906457) has the molecular formula C15H23FN4O5 and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID163906457
Molecular FormulaC15H23FN4O5
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide
SMILESCCC(C)(CC(C)(C)CC(=O)NO)NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H23FN4O5/c1-5-15(4,8-14(2,3)6-10(21)19-25)18-13(24)20-7-9(16)11(22)17-12(20)23/h7,25H,5-6,8H2,1-4H3,(H,18,24)(H,19,21)(H,17,22,23)
InChIKeyQOIDUDVOATWZIA-UHFFFAOYSA-N
XLogP0.71
TPSA133.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 145209845
ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
CID 175007671
5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
CID 68650560
5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
CID 14451336
5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
CID 53380026
5-fluoro-N-[2-(4-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10757550
5-fluoro-N-[(2-methoxyphenyl)methyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10565627
N-(1-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10540930
N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525096
N-(1-adamantyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525056
N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525065
N-[2-(2-cyanoethylsulfanyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525088

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide (CID 163906457) is 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide is CCC(C)(CC(C)(C)CC(=O)NO)NC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is QOIDUDVOATWZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O5/c1-5-15(4,8-14(2,3)6-10(21)19-25)18-13(24)20-7-9(16)11(22)17-12(20)23/h7,25H,5-6,8H2,1-4H3,(H,18,24)(H,19,21)(H,17,22,23).
What are the key properties of 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[7-(hydroxyamino)-3,5,5-trimethyl-7-oxoheptan-3-yl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 163906457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).