N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride

C18H20Cl2F3N3O2 — CID 119616797

IUPACN-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CC1
InChIInChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)13-5-8-16(23-10-13)26-14-6-3-12(4-7-14)17(25)24-15(9-22)11-1-2-11;;/h3-8,10-11,15H,1-2,9,22H2,(H,24,25);2*1H
InChIKeyOGOHVKYTTHBGEV-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.20
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride (PubChem CID 119616797) has the molecular formula C18H20Cl2F3N3O2 and a molecular weight of 438.28 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
PubChem CID119616797
Molecular FormulaC18H20Cl2F3N3O2
Molecular Weight438.28 g/mol
Exact Mass437.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CC1
InChIInChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)13-5-8-16(23-10-13)26-14-6-3-12(4-7-14)17(25)24-15(9-22)11-1-2-11;;/h3-8,10-11,15H,1-2,9,22H2,(H,24,25);2*1H
InChIKeyOGOHVKYTTHBGEV-UHFFFAOYSA-N
XLogP4.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride 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

N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-(2-amino-1-cyclopropylethyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 119614592
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119458718
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532478
N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119592111
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 24532609
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532499
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride (CID 119616797) is N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The InChIKey is OGOHVKYTTHBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)13-5-8-16(23-10-13)26-14-6-3-12(4-7-14)17(25)24-15(9-22)11-1-2-11;;/h3-8,10-11,15H,1-2,9,22H2,(H,24,25);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride has a molecular weight of 438.28 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride is sourced from PubChem (CID 119616797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).