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

C20H19BrFNO — CID 14970537

IUPAC1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrFNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
InChIKeySXQKIPLAINGNGZ-UHFFFAOYSA-N
MW388.28 g/mol
LogP4.95
Rot. Bonds5

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

1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 14970537) has the molecular formula C20H19BrFNO and a molecular weight of 388.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID14970537
Molecular FormulaC20H19BrFNO
Molecular Weight388.28 g/mol
Exact Mass387.06
IUPAC Name1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrFNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
InChIKeySXQKIPLAINGNGZ-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 14970537) is 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is O=C(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is SXQKIPLAINGNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2.
What are the key properties of 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 388.28 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 14970537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).