N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide

C20H16ClNO3 — CID 1484457

IUPACN-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(-c3ccc(Cl)cc3)oc2=O)cc1
InChIInChI=1S/C20H16ClNO3/c1-12-3-5-15(6-4-12)19(23)22-18-13(2)11-17(25-20(18)24)14-7-9-16(21)10-8-14/h3-11H,1-2H3,(H,22,23)
InChIKeySAGNQAAEDXSOHH-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.83
Rot. Bonds3

About N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide

N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide (PubChem CID 1484457) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide
PubChem CID1484457
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC NameN-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(-c3ccc(Cl)cc3)oc2=O)cc1
InChIInChI=1S/C20H16ClNO3/c1-12-3-5-15(6-4-12)19(23)22-18-13(2)11-17(25-20(18)24)14-7-9-16(21)10-8-14/h3-11H,1-2H3,(H,22,23)
InChIKeySAGNQAAEDXSOHH-UHFFFAOYSA-N
XLogP4.83
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide?
The IUPAC name of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide (CID 1484457) is N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(C)cc(-c3ccc(Cl)cc3)oc2=O)cc1.
What is the InChIKey of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide?
The InChIKey is SAGNQAAEDXSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-12-3-5-15(6-4-12)19(23)22-18-13(2)11-17(25-20(18)24)14-7-9-16(21)10-8-14/h3-11H,1-2H3,(H,22,23).
What are the key properties of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide?
N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide has a molecular weight of 353.81 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]-4-methylbenzamide is sourced from PubChem (CID 1484457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).