3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C17H23FN2O2 — CID 119695560

IUPAC3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C17H23FN2O2/c1-20(8-9-22-14-5-3-2-4-13(14)18)17(21)15-11-6-7-12(10-11)16(15)19/h2-5,11-12,15-16H,6-10,19H2,1H3
InChIKeyCCWRYEREPLACFS-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119695560) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119695560
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C17H23FN2O2/c1-20(8-9-22-14-5-3-2-4-13(14)18)17(21)15-11-6-7-12(10-11)16(15)19/h2-5,11-12,15-16H,6-10,19H2,1H3
InChIKeyCCWRYEREPLACFS-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 66240651
(1S,2S,3R,4S)-3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 124865231
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702990
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982144
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067637
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 73420162
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide
CID 136560972

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 119695560) is 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(CCOc1ccccc1F)C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CCWRYEREPLACFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-20(8-9-22-14-5-3-2-4-13(14)18)17(21)15-11-6-7-12(10-11)16(15)19/h2-5,11-12,15-16H,6-10,19H2,1H3.
What are the key properties of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119695560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).