2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride

C12H18ClFN2O2 — CID 166174909

IUPAC2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1cc(F)ccc1OCCN.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-8(2)15-12(16)10-7-9(13)3-4-11(10)17-6-5-14;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16);1H
InChIKeyLXGJEDWCIQEFKI-UHFFFAOYSA-N
MW276.74 g/mol
LogP1.72
Rot. Bonds5

About 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride

2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 166174909) has the molecular formula C12H18ClFN2O2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
PubChem CID166174909
Molecular FormulaC12H18ClFN2O2
Molecular Weight276.74 g/mol
Exact Mass276.10
IUPAC Name2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1cc(F)ccc1OCCN.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-8(2)15-12(16)10-7-9(13)3-4-11(10)17-6-5-14;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16);1H
InChIKeyLXGJEDWCIQEFKI-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 118781955
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
CID 119064151
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 154906225
2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
CID 166174931
[2-(2-aminoethoxy)-5-fluorophenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166174937
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107698389
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride (CID 166174909) is 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride is CC(C)NC(=O)c1cc(F)ccc1OCCN.Cl.
What is the InChIKey of 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is LXGJEDWCIQEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2.ClH/c1-8(2)15-12(16)10-7-9(13)3-4-11(10)17-6-5-14;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride?
2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 166174909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).