3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one

C18H16ClNO — CID 13045339

IUPAC3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one
SMILESCC1=CN(c2ccccc2)C(=O)C(Cl)C1c1ccccc1
InChIInChI=1S/C18H16ClNO/c1-13-12-20(15-10-6-3-7-11-15)18(21)17(19)16(13)14-8-4-2-5-9-14/h2-12,16-17H,1H3
InChIKeyZTSMOVKAWQKSSP-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.33
Rot. Bonds2

About 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one

3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one (PubChem CID 13045339) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one
PubChem CID13045339
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one
SMILESCC1=CN(c2ccccc2)C(=O)C(Cl)C1c1ccccc1
InChIInChI=1S/C18H16ClNO/c1-13-12-20(15-10-6-3-7-11-15)18(21)17(19)16(13)14-8-4-2-5-9-14/h2-12,16-17H,1H3
InChIKeyZTSMOVKAWQKSSP-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one?
The IUPAC name of 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one (CID 13045339) is 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one is CC1=CN(c2ccccc2)C(=O)C(Cl)C1c1ccccc1.
What is the InChIKey of 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one?
The InChIKey is ZTSMOVKAWQKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-13-12-20(15-10-6-3-7-11-15)18(21)17(19)16(13)14-8-4-2-5-9-14/h2-12,16-17H,1H3.
What are the key properties of 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one?
3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one has a molecular weight of 297.79 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 13045339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).