N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide

C17H18FN3O6 — CID 57180325

IUPACN-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide
SMILESCc1cn([C@@H]2O[C@H](CNC(=O)c3ccccc3F)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C17H18FN3O6/c1-8-7-21(17(26)20-14(8)24)16-13(23)12(22)11(27-16)6-19-15(25)9-4-2-3-5-10(9)18/h2-5,7,11-13,16,22-23H,6H2,1H3,(H,19,25)(H,20,24,26)/t11-,12?,13?,16-/m1/s1
InChIKeyHZOFKPFCHKBPLK-NEQJSVFRSA-N
MW379.34 g/mol
LogP-0.97
Rot. Bonds4

About N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide

N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide (PubChem CID 57180325) has the molecular formula C17H18FN3O6 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide
PubChem CID57180325
Molecular FormulaC17H18FN3O6
Molecular Weight379.34 g/mol
Exact Mass379.12
IUPAC NameN-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide
SMILESCc1cn([C@@H]2O[C@H](CNC(=O)c3ccccc3F)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C17H18FN3O6/c1-8-7-21(17(26)20-14(8)24)16-13(23)12(22)11(27-16)6-19-15(25)9-4-2-3-5-10(9)18/h2-5,7,11-13,16,22-23H,6H2,1H3,(H,19,25)(H,20,24,26)/t11-,12?,13?,16-/m1/s1
InChIKeyHZOFKPFCHKBPLK-NEQJSVFRSA-N
XLogP-0.97
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide with MolForge

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Related Compounds

2-fluoro-N-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
CID 57203334
N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-fluorobenzamide
CID 57002143
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
5-methyl-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7300708
2-[[(2S,5S)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]isoindole-1,3-dione
CID 57121547
1-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14352037
disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 91827845
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
1-[(2R,3R,4S)-3,4-dihydroxy-5-(2-methylbutyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 89495285
N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 163464564
(2S)-2-[[[(2S,3S,4R,5S)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoic acid
CID 134208547

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide (CID 57180325) is N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide is Cc1cn([C@@H]2O[C@H](CNC(=O)c3ccccc3F)C(O)C2O)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is HZOFKPFCHKBPLK-NEQJSVFRSA-N. The full InChI is InChI=1S/C17H18FN3O6/c1-8-7-21(17(26)20-14(8)24)16-13(23)12(22)11(27-16)6-19-15(25)9-4-2-3-5-10(9)18/h2-5,7,11-13,16,22-23H,6H2,1H3,(H,19,25)(H,20,24,26)/t11-,12?,13?,16-/m1/s1.
What are the key properties of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide?
N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 379.34 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 57180325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).