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

C20H19Cl4NO — CID 67770521

IUPAC1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1Cl)CN1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18Cl3NO.ClH/c21-17-4-1-14(2-5-17)15-7-9-24(10-8-15)13-19(25)11-16-3-6-18(22)12-20(16)23;/h1-7,12H,8-11,13H2;1H
InChIKeyJPCDAWAGOHFBJB-UHFFFAOYSA-N
MW431.19 g/mol
LogP5.97
Rot. Bonds5

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

1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride (PubChem CID 67770521) has the molecular formula C20H19Cl4NO and a molecular weight of 431.19 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride
PubChem CID67770521
Molecular FormulaC20H19Cl4NO
Molecular Weight431.19 g/mol
Exact Mass429.02
IUPAC Name1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1Cl)CN1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18Cl3NO.ClH/c21-17-4-1-14(2-5-17)15-7-9-24(10-8-15)13-19(25)11-16-3-6-18(22)12-20(16)23;/h1-7,12H,8-11,13H2;1H
InChIKeyJPCDAWAGOHFBJB-UHFFFAOYSA-N
XLogP5.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.19
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride?
The IUPAC name of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride (CID 67770521) is 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride?
The canonical SMILES for 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride is Cl.O=C(Cc1ccc(Cl)cc1Cl)CN1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride?
The InChIKey is JPCDAWAGOHFBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3NO.ClH/c21-17-4-1-14(2-5-17)15-7-9-24(10-8-15)13-19(25)11-16-3-6-18(22)12-20(16)23;/h1-7,12H,8-11,13H2;1H.
What are the key properties of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride?
1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride has a molecular weight of 431.19 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride is sourced from PubChem (CID 67770521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).