9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

C20H15F2N3 — CID 66964504

IUPAC9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1ccc(C2=CCNCc3c2ccc(-c2cccnn2)c3F)cc1
InChIInChI=1S/C20H15F2N3/c21-14-5-3-13(4-6-14)15-9-11-23-12-18-16(15)7-8-17(20(18)22)19-2-1-10-24-25-19/h1-10,23H,11-12H2
InChIKeyZSQBPWIAMUJHDH-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.96
Rot. Bonds2

About 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66964504) has the molecular formula C20H15F2N3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
PubChem CID66964504
Molecular FormulaC20H15F2N3
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1ccc(C2=CCNCc3c2ccc(-c2cccnn2)c3F)cc1
InChIInChI=1S/C20H15F2N3/c21-14-5-3-13(4-6-14)15-9-11-23-12-18-16(15)7-8-17(20(18)22)19-2-1-10-24-25-19/h1-10,23H,11-12H2
InChIKeyZSQBPWIAMUJHDH-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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Related Compounds

9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66965081
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66965015
7-fluoro-5-(7-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964719
5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963933
5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963844
6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964598
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965159
5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66963777
3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine
CID 68526226
6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
CID 66965196
5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965286
3-(4-fluorophenyl)-1H-indene
CID 15158872

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The IUPAC name of 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66964504) is 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.
What is the SMILES notation for 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The canonical SMILES for 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is Fc1ccc(C2=CCNCc3c2ccc(-c2cccnn2)c3F)cc1.
What is the InChIKey of 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The InChIKey is ZSQBPWIAMUJHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3/c21-14-5-3-13(4-6-14)15-9-11-23-12-18-16(15)7-8-17(20(18)22)19-2-1-10-24-25-19/h1-10,23H,11-12H2.
What are the key properties of 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
9-fluoro-5-(4-fluorophenyl)-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 9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66964504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).