N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide

C18H13F2NO4 — CID 177398161

IUPACN-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide
SMILESO=C1OC(c2ccccc2)C(F)(F)C(O)=C1NC(=O)c1ccccc1
InChIInChI=1S/C18H13F2NO4/c19-18(20)14(22)13(21-16(23)12-9-5-2-6-10-12)17(24)25-15(18)11-7-3-1-4-8-11/h1-10,15,22H,(H,21,23)
InChIKeySXMFFFWKACXFPF-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.12
Rot. Bonds3

About N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide

N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide (PubChem CID 177398161) has the molecular formula C18H13F2NO4 and a molecular weight of 345.30 g/mol. Its IUPAC name is N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide.

Molecular Properties

Compound NameN-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide
PubChem CID177398161
Molecular FormulaC18H13F2NO4
Molecular Weight345.30 g/mol
Exact Mass345.08
IUPAC NameN-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide
SMILESO=C1OC(c2ccccc2)C(F)(F)C(O)=C1NC(=O)c1ccccc1
InChIInChI=1S/C18H13F2NO4/c19-18(20)14(22)13(21-16(23)12-9-5-2-6-10-12)17(24)25-15(18)11-7-3-1-4-8-11/h1-10,15,22H,(H,21,23)
InChIKeySXMFFFWKACXFPF-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide?
The IUPAC name of N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide (CID 177398161) is N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide.
What is the SMILES notation for N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide?
The canonical SMILES for N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide is O=C1OC(c2ccccc2)C(F)(F)C(O)=C1NC(=O)c1ccccc1.
What is the InChIKey of N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide?
The InChIKey is SXMFFFWKACXFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO4/c19-18(20)14(22)13(21-16(23)12-9-5-2-6-10-12)17(24)25-15(18)11-7-3-1-4-8-11/h1-10,15,22H,(H,21,23).
What are the key properties of N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide?
N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide has a molecular weight of 345.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide is sourced from PubChem (CID 177398161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).