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

C20H17ClFN3 — CID 66965150

IUPAC5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1c(-c2cccnn2)ccc2c1CNCCC2c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFN3/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/h1-8,10,15,23H,9,11-12H2
InChIKeyVYPZSYNHLYIVKG-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.56
Rot. Bonds2

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

5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 66965150) has the molecular formula C20H17ClFN3 and a molecular weight of 353.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID66965150
Molecular FormulaC20H17ClFN3
Molecular Weight353.83 g/mol
Exact Mass353.11
IUPAC Name5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1c(-c2cccnn2)ccc2c1CNCCC2c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFN3/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/h1-8,10,15,23H,9,11-12H2
InChIKeyVYPZSYNHLYIVKG-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

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Related Compounds

4-(3,4-Dichlorophenyl)-7-(pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 49805152
5-(3,5-Difluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 12002484
5-(2,4-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 16006646
4-(3,4-Dichlorophenyl)-6-fluoro-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 49805021
4-(4-chlorophenyl)-1,1-dimethyl-7-[6-(trifluoromethyl)pyridazin-3-yl]-3,4-dihydro-2H-isoquinoline
CID 49805276
4-(4-Chlorophenyl)-7-(6-(trifluoromethyl)pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 49806735
5-(4-Chloro-3-fluorophenyl)-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 66763572
5-(3,5-Difluorophenyl)-7-fluoro-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66963408
5-(2,3-difluorophenyl)-9-fluoro-8-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963617
5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963619
5-(2,6-difluorophenyl)-8-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963632
9-fluoro-5-(2-fluoro-4-methylphenyl)-8-[6-(trifluoromethyl)pyridazin-3-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963641

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 66965150) is 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is Fc1c(-c2cccnn2)ccc2c1CNCCC2c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is VYPZSYNHLYIVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3/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/h1-8,10,15,23H,9,11-12H2.
What are the key properties of 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 353.83 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 66965150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).