5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

C20H15F2N3 — CID 66963710

IUPAC5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1cc(F)cc(C2=CCNCc3cc(-c4cccnn4)ccc32)c1
InChIInChI=1S/C20H15F2N3/c21-16-9-14(10-17(22)11-16)19-5-7-23-12-15-8-13(3-4-18(15)19)20-2-1-6-24-25-20/h1-6,8-11,23H,7,12H2
InChIKeySLKZMRPVSJZNOK-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.96
Rot. Bonds2

About 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66963710) has the molecular formula C20H15F2N3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
PubChem CID66963710
Molecular FormulaC20H15F2N3
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1cc(F)cc(C2=CCNCc3cc(-c4cccnn4)ccc32)c1
InChIInChI=1S/C20H15F2N3/c21-16-9-14(10-17(22)11-16)19-5-7-23-12-15-8-13(3-4-18(15)19)20-2-1-6-24-25-20/h1-6,8-11,23H,7,12H2
InChIKeySLKZMRPVSJZNOK-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The IUPAC name of 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66963710) is 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The canonical SMILES for 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is Fc1cc(F)cc(C2=CCNCc3cc(-c4cccnn4)ccc32)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The InChIKey is SLKZMRPVSJZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3/c21-16-9-14(10-17(22)11-16)19-5-7-23-12-15-8-13(3-4-18(15)19)20-2-1-6-24-25-20/h1-6,8-11,23H,7,12H2.
What are the key properties of 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine has a molecular weight of 335.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66963710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).