2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide

C19H21FN2O4 — CID 126447739

IUPAC2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
SMILESNCCOc1ccc(F)cc1C(=O)NCC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C19H21FN2O4/c20-13-5-6-16(24-10-8-21)15(11-13)19(23)22-9-7-14-12-25-17-3-1-2-4-18(17)26-14/h1-6,11,14H,7-10,12,21H2,(H,22,23)/t14-/m1/s1
InChIKeyBYOIFFLANXFEIC-CQSZACIVSA-N
MW360.39 g/mol
LogP2.12
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide

2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide (PubChem CID 126447739) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
PubChem CID126447739
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
SMILESNCCOc1ccc(F)cc1C(=O)NCC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C19H21FN2O4/c20-13-5-6-16(24-10-8-21)15(11-13)19(23)22-9-7-14-12-25-17-3-1-2-4-18(17)26-14/h1-6,11,14H,7-10,12,21H2,(H,22,23)/t14-/m1/s1
InChIKeyBYOIFFLANXFEIC-CQSZACIVSA-N
XLogP2.12
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethoxy)-N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447738
4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide
CID 86284070
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911
2-(2,4-difluorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 51174288
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 5-fluoro-2-methylbenzoate
CID 55473173
2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
CID 166174931
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95228341
5-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 77090998
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 72850967
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide
CID 118784342
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluorobenzamide
CID 51230523

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide (CID 126447739) is 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide is NCCOc1ccc(F)cc1C(=O)NCC[C@@H]1COc2ccccc2O1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide?
The InChIKey is BYOIFFLANXFEIC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-13-5-6-16(24-10-8-21)15(11-13)19(23)22-9-7-14-12-25-17-3-1-2-4-18(17)26-14/h1-6,11,14H,7-10,12,21H2,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide?
2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide has a molecular weight of 360.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide is sourced from PubChem (CID 126447739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).