1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

C26H23ClF3N — CID 19612154

IUPAC1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1cccc(C2=CCN(CCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)c1
InChIInChI=1S/C26H23ClF3N/c27-25-10-8-21(9-11-25)20-6-4-19(5-7-20)12-15-31-16-13-22(14-17-31)23-2-1-3-24(18-23)26(28,29)30/h1-11,13,18H,12,14-17H2
InChIKeyWAFSHDHWRRPPSQ-UHFFFAOYSA-N
MW441.92 g/mol
LogP7.36
Rot. Bonds5

About 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (PubChem CID 19612154) has the molecular formula C26H23ClF3N and a molecular weight of 441.92 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
PubChem CID19612154
Molecular FormulaC26H23ClF3N
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1cccc(C2=CCN(CCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)c1
InChIInChI=1S/C26H23ClF3N/c27-25-10-8-21(9-11-25)20-6-4-19(5-7-20)12-15-31-16-13-22(14-17-31)23-2-1-3-24(18-23)26(28,29)30/h1-11,13,18H,12,14-17H2
InChIKeyWAFSHDHWRRPPSQ-UHFFFAOYSA-N
XLogP7.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (CID 19612154) is 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is FC(F)(F)c1cccc(C2=CCN(CCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)c1.
What is the InChIKey of 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is WAFSHDHWRRPPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N/c27-25-10-8-21(9-11-25)20-6-4-19(5-7-20)12-15-31-16-13-22(14-17-31)23-2-1-3-24(18-23)26(28,29)30/h1-11,13,18H,12,14-17H2.
What are the key properties of 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 441.92 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19612154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).