(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone

C21H17FN2O2 — CID 71476571

IUPAC(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccn1)N1CCOc2ccc(F)cc2C1
InChIInChI=1S/C21H17FN2O2/c22-16-8-9-20-15(13-16)14-24(11-12-26-20)21(25)18-6-2-1-5-17(18)19-7-3-4-10-23-19/h1-10,13H,11-12,14H2
InChIKeyDSDIRADNZPDZDP-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.92
Rot. Bonds2

About (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone

(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone (PubChem CID 71476571) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone
PubChem CID71476571
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccn1)N1CCOc2ccc(F)cc2C1
InChIInChI=1S/C21H17FN2O2/c22-16-8-9-20-15(13-16)14-24(11-12-26-20)21(25)18-6-2-1-5-17(18)19-7-3-4-10-23-19/h1-10,13H,11-12,14H2
InChIKeyDSDIRADNZPDZDP-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-fluorophenyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 61150253
2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 121215418
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(3-fluorophenyl)methanone
CID 110870583
(5-chloro-2-fluorophenyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 61150401
5-(2,4-difluorobenzoyl)-2-oxa-5,16-diazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-17-one
CID 133067683
(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone
CID 175658334
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(2-hydroxyphenyl)methanone
CID 61149413
(2R)-2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 129495142
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(2-fluoro-4-hydroxyphenyl)methanone
CID 104929654
N-[[4-(2-chlorobenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 50832967
7-fluoro-N-(2-pyrazol-1-ylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 100698464
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(2-fluoro-4-methylphenyl)methanone
CID 79781770

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone?
The IUPAC name of (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone (CID 71476571) is (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone?
The canonical SMILES for (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone is O=C(c1ccccc1-c1ccccn1)N1CCOc2ccc(F)cc2C1.
What is the InChIKey of (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone?
The InChIKey is DSDIRADNZPDZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-16-8-9-20-15(13-16)14-24(11-12-26-20)21(25)18-6-2-1-5-17(18)19-7-3-4-10-23-19/h1-10,13H,11-12,14H2.
What are the key properties of (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone?
(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone has a molecular weight of 348.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 71476571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).