6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C11H13FN2O2 — CID 155480058

IUPAC6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCNC1COc2cc(C)cc(F)c2NC1=O
InChIInChI=1S/C11H13FN2O2/c1-6-3-7(12)10-9(4-6)16-5-8(13-2)11(15)14-10/h3-4,8,13H,5H2,1-2H3,(H,14,15)
InChIKeyADLKRVNQLUFJGC-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds1

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

6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 155480058) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID155480058
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCNC1COc2cc(C)cc(F)c2NC1=O
InChIInChI=1S/C11H13FN2O2/c1-6-3-7(12)10-9(4-6)16-5-8(13-2)11(15)14-10/h3-4,8,13H,5H2,1-2H3,(H,14,15)
InChIKeyADLKRVNQLUFJGC-UHFFFAOYSA-N
XLogP1.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-N-((S)-5-((6-Fluoro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-2-(methylamino)propanamide
CID 73055430
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
CID 2085359
(S)-7-amino-9-methyl-6,7-dihydro-9H-5-oxa-9-aza-benzocyclohepten-8-one
CID 57471845
N-(2,6-difluorophenyl)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 89717832
(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
N-(4-ethylphenyl)-2-(2-propoxyanilino)acetamide
CID 1642880
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 155480058) is 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one is CNC1COc2cc(C)cc(F)c2NC1=O.
What is the InChIKey of 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is ADLKRVNQLUFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-6-3-7(12)10-9(4-6)16-5-8(13-2)11(15)14-10/h3-4,8,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 224.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-3-(methylamino)-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 155480058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).