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

C18H13F2NO4 — CID 140833637

IUPACN-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(F)cc2F)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H13F2NO4/c1-18(12-8-7-11(19)9-13(12)20)15(23)14(22)17(25-18)21-16(24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,21,24)
InChIKeyNTHQEYSALANPRB-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.94
Rot. Bonds3

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

N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (PubChem CID 140833637) has the molecular formula C18H13F2NO4 and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
PubChem CID140833637
Molecular FormulaC18H13F2NO4
Molecular Weight345.30 g/mol
Exact Mass345.08
IUPAC NameN-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(F)cc2F)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H13F2NO4/c1-18(12-8-7-11(19)9-13(12)20)15(23)14(22)17(25-18)21-16(24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,21,24)
InChIKeyNTHQEYSALANPRB-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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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (CID 140833637) is N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is CC1(c2ccc(F)cc2F)OC(NC(=O)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The InChIKey is NTHQEYSALANPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO4/c1-18(12-8-7-11(19)9-13(12)20)15(23)14(22)17(25-18)21-16(24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,21,24).
What are the key properties of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
N-[5-(2,4-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-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is sourced from PubChem (CID 140833637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).