3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide

C20H24FN3O4 — CID 72550231

IUPAC3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C20H24FN3O4/c1-2-3-4-5-6-10-13-22-19(27)23-14-16(21)18(26)24(20(23)28)17(25)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3,(H,22,27)
InChIKeyFNYHSEXUQWDVCS-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.76
Rot. Bonds8

About 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide

3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 72550231) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID72550231
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C20H24FN3O4/c1-2-3-4-5-6-10-13-22-19(27)23-14-16(21)18(26)24(20(23)28)17(25)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3,(H,22,27)
InChIKeyFNYHSEXUQWDVCS-UHFFFAOYSA-N
XLogP2.76
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-5-fluoro-2-oxo-N-propylpyrimidine-1-carboxamide
CID 58138331
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-dodecyl-2,2-diphenylacetamide
CID 5143289
2-(hexylamino)-1-phenylethanone
CID 82101185
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654887
N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide
CID 10088859
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-octadec-9-enylbenzamide
CID 54554566
3-fluoro-N-octadecylbenzamide
CID 91711883
3-(octylamino)-1-phenylbut-2-en-1-one
CID 68524139
methyl 8-[[5-fluoro-2-oxo-1-(pentylcarbamoyl)pyrimidin-4-yl]amino]-8-oxooctanoate
CID 58492764

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide (CID 72550231) is 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is FNYHSEXUQWDVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-2-3-4-5-6-10-13-22-19(27)23-14-16(21)18(26)24(20(23)28)17(25)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3,(H,22,27).
What are the key properties of 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide?
3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 72550231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).