2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide

C19H21FN2O2 — CID 86972389

IUPAC2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCOc2cc(F)ccc21)NCCCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-16-8-9-17-18(13-16)24-12-11-22(17)14-19(23)21-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,21,23)
InChIKeyGWJLHUZIOFMYPL-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.77
Rot. Bonds6

About 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide

2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 86972389) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
PubChem CID86972389
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCOc2cc(F)ccc21)NCCCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-16-8-9-17-18(13-16)24-12-11-22(17)14-19(23)21-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,21,23)
InChIKeyGWJLHUZIOFMYPL-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 56792455
2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 136526531
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110729912
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide
CID 43065858
2-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 82339228
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 9126673
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
CID 46857160
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686511
2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-phenylpropyl)acetamide
CID 20952468
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999968
[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
CID 82058003

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide (CID 86972389) is 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide is O=C(CN1CCOc2cc(F)ccc21)NCCCc1ccccc1.
What is the InChIKey of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is GWJLHUZIOFMYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-8-9-17-18(13-16)24-12-11-22(17)14-19(23)21-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,21,23).
What are the key properties of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide?
2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 86972389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).