6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane

C18H25ClF3NO — CID 145395327

IUPAC6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane
SMILESCC1CC(=O)CC(c2ccc(Cl)cc2)=N1.CCC.CCC(F)(F)F
InChIInChI=1S/C12H12ClNO.C3H5F3.C3H8/c1-8-6-11(15)7-12(14-8)9-2-4-10(13)5-3-9;1-2-3(4,5)6;1-3-2/h2-5,8H,6-7H2,1H3;2H2,1H3;3H2,1-2H3
InChIKeyCHUDIMMSVNHZCB-UHFFFAOYSA-N
MW363.85 g/mol
LogP6.26
Rot. Bonds1

About 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane

6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane (PubChem CID 145395327) has the molecular formula C18H25ClF3NO and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane
PubChem CID145395327
Molecular FormulaC18H25ClF3NO
Molecular Weight363.85 g/mol
Exact Mass363.16
IUPAC Name6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane
SMILESCC1CC(=O)CC(c2ccc(Cl)cc2)=N1.CCC.CCC(F)(F)F
InChIInChI=1S/C12H12ClNO.C3H5F3.C3H8/c1-8-6-11(15)7-12(14-8)9-2-4-10(13)5-3-9;1-2-3(4,5)6;1-3-2/h2-5,8H,6-7H2,1H3;2H2,1H3;3H2,1-2H3
InChIKeyCHUDIMMSVNHZCB-UHFFFAOYSA-N
XLogP6.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane?
The IUPAC name of 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane (CID 145395327) is 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane?
The canonical SMILES for 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane is CC1CC(=O)CC(c2ccc(Cl)cc2)=N1.CCC.CCC(F)(F)F.
What is the InChIKey of 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane?
The InChIKey is CHUDIMMSVNHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO.C3H5F3.C3H8/c1-8-6-11(15)7-12(14-8)9-2-4-10(13)5-3-9;1-2-3(4,5)6;1-3-2/h2-5,8H,6-7H2,1H3;2H2,1H3;3H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane?
6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane has a molecular weight of 363.85 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane is sourced from PubChem (CID 145395327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).