1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone

C12H12BrNO — CID 22620743

IUPAC1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone
SMILESCC(=O)N1C=C(Br)c2ccccc2CC1
InChIInChI=1S/C12H12BrNO/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(13)8-14/h2-5,8H,6-7H2,1H3
InChIKeyARMSVRBUSGVGCO-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.78
Rot. Bonds

About 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone

1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone (PubChem CID 22620743) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone
PubChem CID22620743
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone
SMILESCC(=O)N1C=C(Br)c2ccccc2CC1
InChIInChI=1S/C12H12BrNO/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(13)8-14/h2-5,8H,6-7H2,1H3
InChIKeyARMSVRBUSGVGCO-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Phenethyl-N-methylacetamide
CID 541795
1-(1H-isoquinolin-2-yl)ethanone
CID 12604598
3-acetyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 19375487
1-Acetyl-5-bromo-4-phenyl-3-pyrrolin-2-one
CID 129871898
1-(7-Fluoro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 22003931
4-Bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 138471749
1-(1,2-Dihydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
CID 168756319
1-(1,3,4,5-Tetrahydro-2H-2-benzazepin-2-yl)ethanone
CID 10465110
N-ethyl-N-(2-phenylethyl)acetamide
CID 12400568
N-pentyl-N-phenethylacetamide
CID 46205529
2-bromo-N-hexyl-N-(2-phenylethyl)acetamide
CID 174542676
1-(3-Benzazepin-3-yl)ethanone
CID 45119359

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone?
The IUPAC name of 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone (CID 22620743) is 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone?
The canonical SMILES for 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone is CC(=O)N1C=C(Br)c2ccccc2CC1.
What is the InChIKey of 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone?
The InChIKey is ARMSVRBUSGVGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(13)8-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone?
1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone has a molecular weight of 266.14 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone is sourced from PubChem (CID 22620743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).