4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide

C16H13ClFN3O4 — CID 10237167

IUPAC4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)n(C2C=CC(CO)O2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O4/c17-10-3-1-9(2-4-10)15(23)19-14-12(18)7-21(16(24)20-14)13-6-5-11(8-22)25-13/h1-7,11,13,22H,8H2,(H,19,20,23,24)
InChIKeyNRCRQRCTRROGJG-UHFFFAOYSA-N
MW365.75 g/mol
LogP1.73
Rot. Bonds4

About 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide

4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 10237167) has the molecular formula C16H13ClFN3O4 and a molecular weight of 365.75 g/mol. Its IUPAC name is 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID10237167
Molecular FormulaC16H13ClFN3O4
Molecular Weight365.75 g/mol
Exact Mass365.06
IUPAC Name4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)n(C2C=CC(CO)O2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O4/c17-10-3-1-9(2-4-10)15(23)19-14-12(18)7-21(16(24)20-14)13-6-5-11(8-22)25-13/h1-7,11,13,22H,8H2,(H,19,20,23,24)
InChIKeyNRCRQRCTRROGJG-UHFFFAOYSA-N
XLogP1.73
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10193746
6-amino-6-(4-chlorobenzoyl)-5-fluoro-3-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-pyrimidin-2-one
CID 152771262
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-4-ethoxybenzamide
CID 54533827
N-[5-fluoro-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]-3-methylbenzamide
CID 20803014
4-benzamido-N-[(4-chlorophenyl)methyl]-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 58138357
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-fluoro-4-(propan-2-ylamino)pyrimidin-2-one
CID 10839348
[4-(4-benzamido-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate
CID 68717115
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-one
CID 163541264
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide
CID 54177062
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
CID 57172039
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-chlorobenzoate
CID 127028223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 10237167) is 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide is O=C(Nc1nc(=O)n(C2C=CC(CO)O2)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is NRCRQRCTRROGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O4/c17-10-3-1-9(2-4-10)15(23)19-14-12(18)7-21(16(24)20-14)13-6-5-11(8-22)25-13/h1-7,11,13,22H,8H2,(H,19,20,23,24).
What are the key properties of 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide?
4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 365.75 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 10237167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).