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

C26H24FNO — CID 10022988

IUPAC3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24FNO/c27-25-12-10-22(11-13-25)23-14-17-28(18-15-23)19-16-26(29)24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-14H,15-19H2
InChIKeyWOPDMUBNLSIIBL-UHFFFAOYSA-N
MW385.48 g/mol
LogP5.85
Rot. Bonds6

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

3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one (PubChem CID 10022988) has the molecular formula C26H24FNO and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one
PubChem CID10022988
Molecular FormulaC26H24FNO
Molecular Weight385.48 g/mol
Exact Mass385.18
IUPAC Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24FNO/c27-25-12-10-22(11-13-25)23-14-17-28(18-15-23)19-16-26(29)24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-14H,15-19H2
InChIKeyWOPDMUBNLSIIBL-UHFFFAOYSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
1-(4-benzylphenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 10251306
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
CID 18794477
(E)-but-2-enedioic acid;4-(4-fluorophenyl)-1-prop-2-enyl-3,6-dihydro-2H-pyridine
CID 70388998
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid
CID 11220282
1-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 14970532
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8555153
4-(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine
CID 22132290
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793154

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one (CID 10022988) is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one is O=C(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one?
The InChIKey is WOPDMUBNLSIIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO/c27-25-12-10-22(11-13-25)23-14-17-28(18-15-23)19-16-26(29)24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-14H,15-19H2.
What are the key properties of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one?
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one has a molecular weight of 385.48 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 10022988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).