N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide

C20H14ClNO4 — CID 1473623

IUPACN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide
SMILESCc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H14ClNO4/c1-12-16(18(23)13-5-3-2-4-6-13)11-17(20(25)26-12)22-19(24)14-7-9-15(21)10-8-14/h2-11H,1H3,(H,22,24)
InChIKeyUOJQZNHDARQMHC-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.08
Rot. Bonds4

About N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide

N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide (PubChem CID 1473623) has the molecular formula C20H14ClNO4 and a molecular weight of 367.79 g/mol. Its IUPAC name is N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide
PubChem CID1473623
Molecular FormulaC20H14ClNO4
Molecular Weight367.79 g/mol
Exact Mass367.06
IUPAC NameN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide
SMILESCc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H14ClNO4/c1-12-16(18(23)13-5-3-2-4-6-13)11-17(20(25)26-12)22-19(24)14-7-9-15(21)10-8-14/h2-11H,1H3,(H,22,24)
InChIKeyUOJQZNHDARQMHC-UHFFFAOYSA-N
XLogP4.08
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.08
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)-4-chlorobenzamide?
The IUPAC name of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide (CID 1473623) is N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide?
The canonical SMILES for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide is Cc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide?
The InChIKey is UOJQZNHDARQMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4/c1-12-16(18(23)13-5-3-2-4-6-13)11-17(20(25)26-12)22-19(24)14-7-9-15(21)10-8-14/h2-11H,1H3,(H,22,24).
What are the key properties of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide?
N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-chlorobenzamide has a molecular weight of 367.79 g/mol, XLogP of 4.08, 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)-4-chlorobenzamide is sourced from PubChem (CID 1473623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).