2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride

C14H20ClFN2O3 — CID 166174931

IUPAC2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
SMILESCl.NCCOc1ccc(F)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C14H19FN2O3.ClH/c15-10-1-2-13(20-8-5-16)12(9-10)14(18)17-11-3-6-19-7-4-11;/h1-2,9,11H,3-8,16H2,(H,17,18);1H
InChIKeyFFEXGJGCCMFLIA-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.49
Rot. Bonds5

About 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride

2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride (PubChem CID 166174931) has the molecular formula C14H20ClFN2O3 and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
PubChem CID166174931
Molecular FormulaC14H20ClFN2O3
Molecular Weight318.78 g/mol
Exact Mass318.11
IUPAC Name2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
SMILESCl.NCCOc1ccc(F)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C14H19FN2O3.ClH/c15-10-1-2-13(20-8-5-16)12(9-10)14(18)17-11-3-6-19-7-4-11;/h1-2,9,11H,3-8,16H2,(H,17,18);1H
InChIKeyFFEXGJGCCMFLIA-UHFFFAOYSA-N
XLogP1.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride?
The IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride (CID 166174931) is 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride is Cl.NCCOc1ccc(F)cc1C(=O)NC1CCOCC1.
What is the InChIKey of 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride?
The InChIKey is FFEXGJGCCMFLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3.ClH/c15-10-1-2-13(20-8-5-16)12(9-10)14(18)17-11-3-6-19-7-4-11;/h1-2,9,11H,3-8,16H2,(H,17,18);1H.
What are the key properties of 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride?
2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride has a molecular weight of 318.78 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 166174931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).