6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide

C19H16ClNO3 — CID 88797740

IUPAC6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide
SMILESCNC(=O)c1c(C2=CC=CCC2)oc(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C19H16ClNO3/c1-21-19(23)17-15(22)11-16(12-7-9-14(20)10-8-12)24-18(17)13-5-3-2-4-6-13/h2-3,5,7-11H,4,6H2,1H3,(H,21,23)
InChIKeyWUBBHBWNVUPKMS-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.05
Rot. Bonds3

About 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide

6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide (PubChem CID 88797740) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide
PubChem CID88797740
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide
SMILESCNC(=O)c1c(C2=CC=CCC2)oc(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C19H16ClNO3/c1-21-19(23)17-15(22)11-16(12-7-9-14(20)10-8-12)24-18(17)13-5-3-2-4-6-13/h2-3,5,7-11H,4,6H2,1H3,(H,21,23)
InChIKeyWUBBHBWNVUPKMS-UHFFFAOYSA-N
XLogP4.05
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide (CID 88797740) is 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide is CNC(=O)c1c(C2=CC=CCC2)oc(-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide?
The InChIKey is WUBBHBWNVUPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-21-19(23)17-15(22)11-16(12-7-9-14(20)10-8-12)24-18(17)13-5-3-2-4-6-13/h2-3,5,7-11H,4,6H2,1H3,(H,21,23).
What are the key properties of 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide?
6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide is sourced from PubChem (CID 88797740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).