5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one

C17H15BrFNOS — CID 146310853

IUPAC5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)CCC(c2ccsc2Br)=C1c1ccc(F)cc1
InChIInChI=1S/C17H15BrFNOS/c1-2-20-15(21)8-7-13(14-9-10-22-17(14)18)16(20)11-3-5-12(19)6-4-11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyQJDCTQCCYSTLJW-UHFFFAOYSA-N
MW380.28 g/mol
LogP5.16
Rot. Bonds3

About 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one

5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one (PubChem CID 146310853) has the molecular formula C17H15BrFNOS and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one
PubChem CID146310853
Molecular FormulaC17H15BrFNOS
Molecular Weight380.28 g/mol
Exact Mass379.00
IUPAC Name5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)CCC(c2ccsc2Br)=C1c1ccc(F)cc1
InChIInChI=1S/C17H15BrFNOS/c1-2-20-15(21)8-7-13(14-9-10-22-17(14)18)16(20)11-3-5-12(19)6-4-11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyQJDCTQCCYSTLJW-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.28
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one (CID 146310853) is 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one is CCN1C(=O)CCC(c2ccsc2Br)=C1c1ccc(F)cc1.
What is the InChIKey of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one?
The InChIKey is QJDCTQCCYSTLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNOS/c1-2-20-15(21)8-7-13(14-9-10-22-17(14)18)16(20)11-3-5-12(19)6-4-11/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one?
5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one has a molecular weight of 380.28 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 146310853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).