(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C17H15BrFNO — CID 106544565

IUPAC(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1cccc(Br)c1F)N1CCc2ccccc2CC1
InChIInChI=1S/C17H15BrFNO/c18-15-7-3-6-14(16(15)19)17(21)20-10-8-12-4-1-2-5-13(12)9-11-20/h1-7H,8-11H2
InChIKeyQLDHPORDDAWJNX-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.83
Rot. Bonds1

About (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 106544565) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID106544565
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1cccc(Br)c1F)N1CCc2ccccc2CC1
InChIInChI=1S/C17H15BrFNO/c18-15-7-3-6-14(16(15)19)17(21)20-10-8-12-4-1-2-5-13(12)9-11-20/h1-7H,8-11H2
InChIKeyQLDHPORDDAWJNX-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107956315
2-[4-(3-bromo-2-fluorobenzoyl)piperazin-1-yl]acetic acid
CID 107949001
(3-bromo-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106544432
1-[4-(3-bromo-2-fluorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 106547862
(3-bromo-2-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107952535
(3-bromo-2-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 106544396
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
(3-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951376
1-(3-bromo-2-fluorobenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 167793126
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107948882
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 106544565) is (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is O=C(c1cccc(Br)c1F)N1CCc2ccccc2CC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is QLDHPORDDAWJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-15-7-3-6-14(16(15)19)17(21)20-10-8-12-4-1-2-5-13(12)9-11-20/h1-7H,8-11H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 348.22 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 106544565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).