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

C20H19Cl2NO — CID 10948383

IUPAC1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
InChIKeyMHVQZSQFNIXABK-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.36
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 10948383) has the molecular formula C20H19Cl2NO and a molecular weight of 360.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID10948383
Molecular FormulaC20H19Cl2NO
Molecular Weight360.28 g/mol
Exact Mass359.08
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
InChIKeyMHVQZSQFNIXABK-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 10948383) is 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is MHVQZSQFNIXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 360.28 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 10948383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).