8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one

C10H9BrFNO — CID 139310481

IUPAC8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(F)c(Br)cc2N1
InChIInChI=1S/C10H9BrFNO/c11-7-5-9-6(4-8(7)12)2-1-3-10(14)13-9/h4-5H,1-3H2,(H,13,14)
InChIKeyKYUWRTMJCWUZEF-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.86
Rot. Bonds

About 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one

8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 139310481) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID139310481
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(F)c(Br)cc2N1
InChIInChI=1S/C10H9BrFNO/c11-7-5-9-6(4-8(7)12)2-1-3-10(14)13-9/h4-5H,1-3H2,(H,13,14)
InChIKeyKYUWRTMJCWUZEF-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
7-bromo-8-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290408
7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 115824459
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide
CID 154848500
7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 43165341
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756
6-fluoro-8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 88976977
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 139310481) is 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(F)c(Br)cc2N1.
What is the InChIKey of 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is KYUWRTMJCWUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c11-7-5-9-6(4-8(7)12)2-1-3-10(14)13-9/h4-5H,1-3H2,(H,13,14).
What are the key properties of 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 258.09 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 139310481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).