2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C9H9FN2O2 — CID 142795120

IUPAC2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESNC1CC(=O)Nc2cc(F)ccc2O1
InChIInChI=1S/C9H9FN2O2/c10-5-1-2-7-6(3-5)12-9(13)4-8(11)14-7/h1-3,8H,4,11H2,(H,12,13)
InChIKeyISCIOONFJFMMRH-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.83
Rot. Bonds

About 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 142795120) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID142795120
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESNC1CC(=O)Nc2cc(F)ccc2O1
InChIInChI=1S/C9H9FN2O2/c10-5-1-2-7-6(3-5)12-9(13)4-8(11)14-7/h1-3,8H,4,11H2,(H,12,13)
InChIKeyISCIOONFJFMMRH-UHFFFAOYSA-N
XLogP0.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
CID 164602655
(3R)-3-amino-7-fluoro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 21091513
5-amino-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82401386
8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 82158832
N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119475717
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17492148
7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
CID 105460306
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
6-fluoro-2-[4-(trifluoromethyl)phenyl]-4H-1,4-benzoxazin-3-one
CID 118982343
(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256796

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 142795120) is 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is NC1CC(=O)Nc2cc(F)ccc2O1.
What is the InChIKey of 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is ISCIOONFJFMMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-5-1-2-7-6(3-5)12-9(13)4-8(11)14-7/h1-3,8H,4,11H2,(H,12,13).
What are the key properties of 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 196.18 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 142795120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).