N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide

C20H15NO4 — CID 2737848

IUPACN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H15NO4/c1-13-16(18(22)14-8-4-2-5-9-14)12-17(20(24)25-13)21-19(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,23)
InChIKeyOECHXMGVPRCCIN-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.43
Rot. Bonds4

About N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide

N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide (PubChem CID 2737848) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide
PubChem CID2737848
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC NameN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H15NO4/c1-13-16(18(22)14-8-4-2-5-9-14)12-17(20(24)25-13)21-19(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,23)
InChIKeyOECHXMGVPRCCIN-UHFFFAOYSA-N
XLogP3.43
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide?
The IUPAC name of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide (CID 2737848) is N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide.
What is the SMILES notation for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide?
The canonical SMILES for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide is Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide?
The InChIKey is OECHXMGVPRCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-13-16(18(22)14-8-4-2-5-9-14)12-17(20(24)25-13)21-19(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,23).
What are the key properties of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide?
N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide has a molecular weight of 333.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide is sourced from PubChem (CID 2737848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).