4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride

C18H20ClF3N2O3 — CID 120592787

IUPAC4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O3.ClH/c1-25-16(11-22)10-17(24)23-13-5-7-14(8-6-13)26-15-4-2-3-12(9-15)18(19,20)21;/h2-9,16H,10-11,22H2,1H3,(H,23,24);1H
InChIKeyZYSMXHJRGSZYDA-UHFFFAOYSA-N
MW404.82 g/mol
LogP4.22
Rot. Bonds7

About 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride (PubChem CID 120592787) has the molecular formula C18H20ClF3N2O3 and a molecular weight of 404.82 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
PubChem CID120592787
Molecular FormulaC18H20ClF3N2O3
Molecular Weight404.82 g/mol
Exact Mass404.11
IUPAC Name4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O3.ClH/c1-25-16(11-22)10-17(24)23-13-5-7-14(8-6-13)26-15-4-2-3-12(9-15)18(19,20)21;/h2-9,16H,10-11,22H2,1H3,(H,23,24);1H
InChIKeyZYSMXHJRGSZYDA-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 3688327
2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 168520366
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
methyl 3-oxo-3-[4-[4-(trifluoromethyl)phenoxy]anilino]propanoate
CID 169084967
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride (CID 120592787) is 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride?
The InChIKey is ZYSMXHJRGSZYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3.ClH/c1-25-16(11-22)10-17(24)23-13-5-7-14(8-6-13)26-15-4-2-3-12(9-15)18(19,20)21;/h2-9,16H,10-11,22H2,1H3,(H,23,24);1H.
What are the key properties of 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride has a molecular weight of 404.82 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120592787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).