N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride

C18H20ClF3N2O3 — CID 120605110

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
SMILESCCOc1ccc(OCC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O3.ClH/c1-2-25-15-3-5-16(6-4-15)26-11-17(24)23-14-8-12(10-22)7-13(9-14)18(19,20)21;/h3-9H,2,10-11,22H2,1H3,(H,23,24);1H
InChIKeyLSKANKNNGGJMAN-UHFFFAOYSA-N
MW404.82 g/mol
LogP4.00
Rot. Bonds7

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride (PubChem CID 120605110) has the molecular formula C18H20ClF3N2O3 and a molecular weight of 404.82 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
PubChem CID120605110
Molecular FormulaC18H20ClF3N2O3
Molecular Weight404.82 g/mol
Exact Mass404.11
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
SMILESCCOc1ccc(OCC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O3.ClH/c1-2-25-15-3-5-16(6-4-15)26-11-17(24)23-14-8-12(10-22)7-13(9-14)18(19,20)21;/h3-9H,2,10-11,22H2,1H3,(H,23,24);1H
InChIKeyLSKANKNNGGJMAN-UHFFFAOYSA-N
XLogP4.00
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 120604652
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 120605363
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-N',N'-diethylbutanediamide
CID 120604853
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
CID 28554728
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
2-[acetyl(methyl)amino]-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 120605357
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)acetamide
CID 120604571
N-(2-acetamidoethyl)-N'-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 120605296
N-[2-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 120605180
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 120605235

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride (CID 120605110) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride is CCOc1ccc(OCC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride?
The InChIKey is LSKANKNNGGJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3.ClH/c1-2-25-15-3-5-16(6-4-15)26-11-17(24)23-14-8-12(10-22)7-13(9-14)18(19,20)21;/h3-9H,2,10-11,22H2,1H3,(H,23,24);1H.
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride has a molecular weight of 404.82 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120605110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).