3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C10H11FN2O2 — CID 123761312

IUPAC3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(F)c2c(c1)OCC(N)C(=O)N2
InChIInChI=1S/C10H11FN2O2/c1-5-2-6(11)9-8(3-5)15-4-7(12)10(14)13-9/h2-3,7H,4,12H2,1H3,(H,13,14)
InChIKeyBAVXIHHHUBCQSM-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.79
Rot. Bonds

About 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 123761312) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID123761312
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(F)c2c(c1)OCC(N)C(=O)N2
InChIInChI=1S/C10H11FN2O2/c1-5-2-6(11)9-8(3-5)15-4-7(12)10(14)13-9/h2-3,7H,4,12H2,1H3,(H,13,14)
InChIKeyBAVXIHHHUBCQSM-UHFFFAOYSA-N
XLogP0.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one 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

(S)-7-amino-9-methyl-6,7-dihydro-9H-5-oxa-9-aza-benzocyclohepten-8-one
CID 57471845
(2S)-N-[(3S)-5-[(2-methoxyphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-(methylamino)propanamide
CID 90060664
(3S)-3-amino-5-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one hydrochloride
CID 67328139
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 24232648
2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 47013117
2-methyl-N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]propanamide
CID 47050419
N-[2-[(4-methyl-2-propoxyphenyl)carbamoylamino]ethyl]acetamide
CID 51085631
(3R)-3-amino-5-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one hydrochloride
CID 138040435
7-Methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
CID 20871808
N-[(3,5-difluorophenyl)methyl]-2-methyl-N'-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]propanediamide
CID 11625864
(3S)-3-Amino-8-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzoxazepin-4(5H)-one trifluoroacetate
CID 12001656
(3S)-3-amino-8-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 12001657

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 123761312) is 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1cc(F)c2c(c1)OCC(N)C(=O)N2.
What is the InChIKey of 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is BAVXIHHHUBCQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-5-2-6(11)9-8(3-5)15-4-7(12)10(14)13-9/h2-3,7H,4,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 210.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 123761312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).