(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C18H15Cl2NO — CID 2568947

IUPAC(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H15Cl2NO/c19-16-7-6-15(12-17(16)20)18(22)21-10-8-14(9-11-21)13-4-2-1-3-5-13/h1-8,12H,9-11H2
InChIKeyIMEAMHDEILIHBX-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.92
Rot. Bonds2

About (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 2568947) has the molecular formula C18H15Cl2NO and a molecular weight of 332.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID2568947
Molecular FormulaC18H15Cl2NO
Molecular Weight332.23 g/mol
Exact Mass331.05
IUPAC Name(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H15Cl2NO/c19-16-7-6-15(12-17(16)20)18(22)21-10-8-14(9-11-21)13-4-2-1-3-5-13/h1-8,12H,9-11H2
InChIKeyIMEAMHDEILIHBX-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 2568947) is (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is IMEAMHDEILIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO/c19-16-7-6-15(12-17(16)20)18(22)21-10-8-14(9-11-21)13-4-2-1-3-5-13/h1-8,12H,9-11H2.
What are the key properties of (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 332.23 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 2568947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).