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

C20H20ClNO — CID 3083457

IUPAC3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H20ClNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
InChIKeyVNTOFUWITKZULK-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.70
Rot. Bonds5

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

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one (PubChem CID 3083457) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one
PubChem CID3083457
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H20ClNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
InChIKeyVNTOFUWITKZULK-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one (CID 3083457) is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one is O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one?
The InChIKey is VNTOFUWITKZULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2.
What are the key properties of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one?
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylpropan-1-one has a molecular weight of 325.84 g/mol, XLogP of 4.70, 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-phenylpropan-1-one is sourced from PubChem (CID 3083457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).