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

C15H12ClNO4 — CID 1483051

IUPACN-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide
SMILESCC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1C
InChIInChI=1S/C15H12ClNO4/c1-8(18)12-7-13(15(20)21-9(12)2)17-14(19)10-4-3-5-11(16)6-10/h3-7H,1-2H3,(H,17,19)
InChIKeyPRFCHIIDEASRAY-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.06
Rot. Bonds3

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

N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide (PubChem CID 1483051) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide
PubChem CID1483051
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC NameN-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide
SMILESCC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1C
InChIInChI=1S/C15H12ClNO4/c1-8(18)12-7-13(15(20)21-9(12)2)17-14(19)10-4-3-5-11(16)6-10/h3-7H,1-2H3,(H,17,19)
InChIKeyPRFCHIIDEASRAY-UHFFFAOYSA-N
XLogP3.06
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide?
The IUPAC name of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide (CID 1483051) is N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide?
The canonical SMILES for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide is CC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1C.
What is the InChIKey of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide?
The InChIKey is PRFCHIIDEASRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-8(18)12-7-13(15(20)21-9(12)2)17-14(19)10-4-3-5-11(16)6-10/h3-7H,1-2H3,(H,17,19).
What are the key properties of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide?
N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide has a molecular weight of 305.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-3-chlorobenzamide is sourced from PubChem (CID 1483051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).