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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide
CID 177431970
(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
CID 14343422
CID 70387554
CID 70387554
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
N-[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]benzamide
CID 102525266
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(3,6-dibromo-2-hydroxyphenyl)benzamide
CID 10690575
N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
CID 66710123
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
(4-benzamidophenyl)carbamic acid
CID 18543096
4-benzoyl-1,3-dioxetan-2-one
CID 139798399
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945

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).