2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one

C16H20FNO2 — CID 142476109

IUPAC2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCOc2c(F)cccc2C1)C1CC1
InChIInChI=1S/C16H20FNO2/c1-16(2,12-6-7-12)15(19)18-8-9-20-14-11(10-18)4-3-5-13(14)17/h3-5,12H,6-10H2,1-2H3
InChIKeyAJWWAIXQAFDINP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.98
Rot. Bonds2

About 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one

2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one (PubChem CID 142476109) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one
PubChem CID142476109
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCOc2c(F)cccc2C1)C1CC1
InChIInChI=1S/C16H20FNO2/c1-16(2,12-6-7-12)15(19)18-8-9-20-14-11(10-18)4-3-5-13(14)17/h3-5,12H,6-10H2,1-2H3
InChIKeyAJWWAIXQAFDINP-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-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

US11203600, Example 32
CID 142476029
5-Tert-butyl-1-(2-phenoxyethyl)azepan-2-one
CID 24789358
US11203600, Example 33
CID 142475885
US11203600, Example 7
CID 142475914
US11203600, Example 21
CID 142475941
US11203600, Example 23
CID 142475954
US11203600, Example 20
CID 142475967
US11203600, Example 18
CID 142475973
US11203600, Example 22
CID 142476000
US11203600, Example 13
CID 142476014
US11203600, Example 14
CID 142476016
US11203600, Example 68
CID 142476021

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one?
The IUPAC name of 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one (CID 142476109) is 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCOc2c(F)cccc2C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one?
The InChIKey is AJWWAIXQAFDINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-16(2,12-6-7-12)15(19)18-8-9-20-14-11(10-18)4-3-5-13(14)17/h3-5,12H,6-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one?
2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one has a molecular weight of 277.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(9-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 142476109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).