2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide

C17H17FN4O3 — CID 118764993

IUPAC2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cc(F)ccc1OCCN
InChIInChI=1S/C17H17FN4O3/c1-22(10-11-2-4-14-15(8-11)21-25-20-14)17(23)13-9-12(18)3-5-16(13)24-7-6-19/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyUHQASVINRLGCRP-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.97
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide

2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide (PubChem CID 118764993) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide
PubChem CID118764993
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cc(F)ccc1OCCN
InChIInChI=1S/C17H17FN4O3/c1-22(10-11-2-4-14-15(8-11)21-25-20-14)17(23)13-9-12(18)3-5-16(13)24-7-6-19/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyUHQASVINRLGCRP-UHFFFAOYSA-N
XLogP1.97
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide (CID 118764993) is 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide is CN(Cc1ccc2nonc2c1)C(=O)c1cc(F)ccc1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide?
The InChIKey is UHQASVINRLGCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-22(10-11-2-4-14-15(8-11)21-25-20-14)17(23)13-9-12(18)3-5-16(13)24-7-6-19/h2-5,8-9H,6-7,10,19H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide?
2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide has a molecular weight of 344.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 118764993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).