N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide

C18H13F2NO4 — CID 140834150

IUPACN-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2cccc(F)c2F)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H13F2NO4/c1-18(11-8-5-9-12(19)13(11)20)15(23)14(22)17(25-18)21-16(24)10-6-3-2-4-7-10/h2-9,22H,1H3,(H,21,24)
InChIKeyVTQMMKUHBNRALX-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.94
Rot. Bonds3

About N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide

N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (PubChem CID 140834150) has the molecular formula C18H13F2NO4 and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
PubChem CID140834150
Molecular FormulaC18H13F2NO4
Molecular Weight345.30 g/mol
Exact Mass345.08
IUPAC NameN-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2cccc(F)c2F)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H13F2NO4/c1-18(11-8-5-9-12(19)13(11)20)15(23)14(22)17(25-18)21-16(24)10-6-3-2-4-7-10/h2-9,22H,1H3,(H,21,24)
InChIKeyVTQMMKUHBNRALX-UHFFFAOYSA-N
XLogP2.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833563
[2-Benzamido-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833571
N-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833573
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833585
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833620
N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833637
N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140833681
[2-Benzamido-5-(2,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833692
[2-Benzamido-5-(2,6-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833712
4-bromo-N-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140833718
[2-Benzamido-5-(3,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833730
4-bromo-N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140833749

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (CID 140834150) is N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is CC1(c2cccc(F)c2F)OC(NC(=O)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The InChIKey is VTQMMKUHBNRALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO4/c1-18(11-8-5-9-12(19)13(11)20)15(23)14(22)17(25-18)21-16(24)10-6-3-2-4-7-10/h2-9,22H,1H3,(H,21,24).
What are the key properties of N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide has a molecular weight of 345.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is sourced from PubChem (CID 140834150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).