8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine

C17H15BrFN — CID 66965181

IUPAC8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2ccc(F)cc2)c2ccc(Br)cc2C1
InChIInChI=1S/C17H15BrFN/c1-20-9-8-17(12-2-5-15(19)6-3-12)16-7-4-14(18)10-13(16)11-20/h2-8,10H,9,11H2,1H3
InChIKeyAOQUMVYYCZUWGP-UHFFFAOYSA-N
MW332.22 g/mol
LogP4.47
Rot. Bonds1

About 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine

8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine (PubChem CID 66965181) has the molecular formula C17H15BrFN and a molecular weight of 332.22 g/mol. Its IUPAC name is 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine
PubChem CID66965181
Molecular FormulaC17H15BrFN
Molecular Weight332.22 g/mol
Exact Mass331.04
IUPAC Name8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2ccc(F)cc2)c2ccc(Br)cc2C1
InChIInChI=1S/C17H15BrFN/c1-20-9-8-17(12-2-5-15(19)6-3-12)16-7-4-14(18)10-13(16)11-20/h2-8,10H,9,11H2,1H3
InChIKeyAOQUMVYYCZUWGP-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol
CID 125480983
5-(2,4-difluorophenyl)-2-methyl-8-(4-methylpiperazin-1-yl)-1,3-dihydro-2-benzazepine
CID 66964749
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66965015
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
6-bromo-4-(4-fluorophenyl)-1H-isochromene
CID 141056468
4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 155415165
3-(4-fluorophenyl)-1H-indene
CID 15158872
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
CID 164893029
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 89191024
5-bromo-2-(4-methylphenyl)-3H-isoindol-1-one
CID 144618984

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine?
The IUPAC name of 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine (CID 66965181) is 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine?
The canonical SMILES for 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine is CN1CC=C(c2ccc(F)cc2)c2ccc(Br)cc2C1.
What is the InChIKey of 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine?
The InChIKey is AOQUMVYYCZUWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN/c1-20-9-8-17(12-2-5-15(19)6-3-12)16-7-4-14(18)10-13(16)11-20/h2-8,10H,9,11H2,1H3.
What are the key properties of 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine?
8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine has a molecular weight of 332.22 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 66965181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).