5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride

C16H18Cl2F3N3O2 — CID 120641796

IUPAC5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1.Cl.Cl
InChIInChI=1S/C16H16F3N3O2.2ClH/c1-10-2-3-12(20)7-13(10)15(23)22-8-11-4-5-21-14(6-11)24-9-16(17,18)19;;/h2-7H,8-9,20H2,1H3,(H,22,23);2*1H
InChIKeyCFJNQSMVIDAEMH-UHFFFAOYSA-N
MW412.24 g/mol
LogP3.69
Rot. Bonds5

About 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride

5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride (PubChem CID 120641796) has the molecular formula C16H18Cl2F3N3O2 and a molecular weight of 412.24 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
PubChem CID120641796
Molecular FormulaC16H18Cl2F3N3O2
Molecular Weight412.24 g/mol
Exact Mass411.07
IUPAC Name5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1.Cl.Cl
InChIInChI=1S/C16H16F3N3O2.2ClH/c1-10-2-3-12(20)7-13(10)15(23)22-8-11-4-5-21-14(6-11)24-9-16(17,18)19;;/h2-7H,8-9,20H2,1H3,(H,22,23);2*1H
InChIKeyCFJNQSMVIDAEMH-UHFFFAOYSA-N
XLogP3.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]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

5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
CID 39502349
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
methyl 2-[2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55962327
2-(aminomethyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119847075
5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62990194
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide
CID 55911461

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride (CID 120641796) is 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride?
The InChIKey is CFJNQSMVIDAEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2.2ClH/c1-10-2-3-12(20)7-13(10)15(23)22-8-11-4-5-21-14(6-11)24-9-16(17,18)19;;/h2-7H,8-9,20H2,1H3,(H,22,23);2*1H.
What are the key properties of 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride?
5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride has a molecular weight of 412.24 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 120641796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).