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

C20H19Cl2NO — CID 67948856

IUPAC1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19Cl2NO/c1-14(20(24)17-4-8-19(22)9-5-17)23-12-10-16(11-13-23)15-2-6-18(21)7-3-15/h2-10,14H,11-13H2,1H3
InChIKeyXGSZRXCRKBGPOO-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.35
Rot. Bonds4

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

1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 67948856) has the molecular formula C20H19Cl2NO and a molecular weight of 360.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID67948856
Molecular FormulaC20H19Cl2NO
Molecular Weight360.28 g/mol
Exact Mass359.08
IUPAC Name1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19Cl2NO/c1-14(20(24)17-4-8-19(22)9-5-17)23-12-10-16(11-13-23)15-2-6-18(21)7-3-15/h2-10,14H,11-13H2,1H3
InChIKeyXGSZRXCRKBGPOO-UHFFFAOYSA-N
XLogP5.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 18125111
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine;oxalic acid
CID 70076703
bis(4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine);oxalic acid
CID 174371552
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
CID 79916266
N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282418

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 67948856) is 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is CC(C(=O)c1ccc(Cl)cc1)N1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is XGSZRXCRKBGPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO/c1-14(20(24)17-4-8-19(22)9-5-17)23-12-10-16(11-13-23)15-2-6-18(21)7-3-15/h2-10,14H,11-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 360.28 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 67948856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).