2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

C19H19FN2O2 — CID 140539199

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2ccccc2F)C1)N1CCOc2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-16-6-2-1-5-15(16)14-9-10-21(13-14)19(23)22-11-12-24-18-8-4-3-7-17(18)22/h1-8,14H,9-13H2
InChIKeyVQOWGQUXTPAFMG-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.63
Rot. Bonds1

About 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 140539199) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID140539199
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2ccccc2F)C1)N1CCOc2ccccc21
InChIInChI=1S/C19H19FN2O2/c20-16-6-2-1-5-15(16)14-9-10-21(13-14)19(23)22-11-12-24-18-8-4-3-7-17(18)22/h1-8,14H,9-13H2
InChIKeyVQOWGQUXTPAFMG-UHFFFAOYSA-N
XLogP3.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 68843498
2,3-dihydro-1,4-benzoxazin-4-yl-[3-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 68844958
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 54583349
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 22521309
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67188141
[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 102560004
[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126451015
azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 64563061
[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 97053753
(3S)-N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide
CID 92682483

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 140539199) is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(N1CCC(c2ccccc2F)C1)N1CCOc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is VQOWGQUXTPAFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-6-2-1-5-15(16)14-9-10-21(13-14)19(23)22-11-12-24-18-8-4-3-7-17(18)22/h1-8,14H,9-13H2.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 326.37 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 140539199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).