7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H17BrN2O2 — CID 106851590

IUPAC7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCNC(c1ccc2c(c1)CCCC(=O)N2)c1ccoc1Br
InChIInChI=1S/C16H17BrN2O2/c1-18-15(12-7-8-21-16(12)17)11-5-6-13-10(9-11)3-2-4-14(20)19-13/h5-9,15,18H,2-4H2,1H3,(H,19,20)
InChIKeyABUAMLTYBZKNMT-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.63
Rot. Bonds3

About 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 106851590) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID106851590
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCNC(c1ccc2c(c1)CCCC(=O)N2)c1ccoc1Br
InChIInChI=1S/C16H17BrN2O2/c1-18-15(12-7-8-21-16(12)17)11-5-6-13-10(9-11)3-2-4-14(20)19-13/h5-9,15,18H,2-4H2,1H3,(H,19,20)
InChIKeyABUAMLTYBZKNMT-UHFFFAOYSA-N
XLogP3.63
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43487004
6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106851594
6-[(2,5-dimethylfuran-3-yl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483885
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772
3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one
CID 82010160
7-[chloro(furan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085451
7-[amino-(5-bromofuran-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464756
7-[bromo-(2-iodophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096575
6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483923
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 106851590) is 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is CNC(c1ccc2c(c1)CCCC(=O)N2)c1ccoc1Br.
What is the InChIKey of 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is ABUAMLTYBZKNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-15(12-7-8-21-16(12)17)11-5-6-13-10(9-11)3-2-4-14(20)19-13/h5-9,15,18H,2-4H2,1H3,(H,19,20).
What are the key properties of 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 349.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 106851590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).