N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide

C24H17F2NO4 — CID 177431970

IUPACN-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(F)(F)C(O)=C1NC(=O)c1ccccc1
InChIInChI=1S/C24H17F2NO4/c25-24(26)20(28)19(27-21(29)16-10-4-1-5-11-16)22(30)31-23(24,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,28H,(H,27,29)
InChIKeyZOOCLFLJWCCLEX-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.32
Rot. Bonds4

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

N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide (PubChem CID 177431970) has the molecular formula C24H17F2NO4 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide.

Molecular Properties

Compound NameN-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide
PubChem CID177431970
Molecular FormulaC24H17F2NO4
Molecular Weight421.40 g/mol
Exact Mass421.11
IUPAC NameN-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide
SMILESO=C1OC(c2ccccc2)(c2ccccc2)C(F)(F)C(O)=C1NC(=O)c1ccccc1
InChIInChI=1S/C24H17F2NO4/c25-24(26)20(28)19(27-21(29)16-10-4-1-5-11-16)22(30)31-23(24,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,28H,(H,27,29)
InChIKeyZOOCLFLJWCCLEX-UHFFFAOYSA-N
XLogP4.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide
CID 177398161
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
molecular hydrogen;N-phenylbenzamide
CID 145238042
(4-benzamidophenyl)carbamic acid
CID 18543096
[2-benzamido-5-(3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834170
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
CID 139015652
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-pyrimidin-2-ylbenzamide
CID 638481
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)benzamide
CID 140833703
N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
CID 98144092

Frequently Asked Questions

What is the IUPAC name of N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide?
The IUPAC name of N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide (CID 177431970) is N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide.
What is the SMILES notation for N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide?
The canonical SMILES for N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide is O=C1OC(c2ccccc2)(c2ccccc2)C(F)(F)C(O)=C1NC(=O)c1ccccc1.
What is the InChIKey of N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide?
The InChIKey is ZOOCLFLJWCCLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO4/c25-24(26)20(28)19(27-21(29)16-10-4-1-5-11-16)22(30)31-23(24,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,28H,(H,27,29).
What are the key properties of N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide?
N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide has a molecular weight of 421.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-difluoro-4-hydroxy-2-oxo-6,6-diphenylpyran-3-yl)benzamide is sourced from PubChem (CID 177431970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).