3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one

C20H18Cl3NO — CID 14970533

IUPAC3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl3NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2
InChIKeyDRRXRVPBQMDXNA-UHFFFAOYSA-N
MW394.73 g/mol
LogP6.01
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one (PubChem CID 14970533) has the molecular formula C20H18Cl3NO and a molecular weight of 394.73 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one
PubChem CID14970533
Molecular FormulaC20H18Cl3NO
Molecular Weight394.73 g/mol
Exact Mass393.05
IUPAC Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl3NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2
InChIKeyDRRXRVPBQMDXNA-UHFFFAOYSA-N
XLogP6.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.73
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one 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 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one (CID 14970533) is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one is O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one?
The InChIKey is DRRXRVPBQMDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2.
What are the key properties of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one?
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one has a molecular weight of 394.73 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 14970533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).