2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride

C38H38Cl2F3N3O3 — CID 10349874

IUPAC2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride
SMILESCc1cc(CNC(=O)Cc2cccc(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)c2)on1.Cl
InChIInChI=1S/C38H37ClF3N3O3.ClH/c1-27-21-33(48-44-27)24-43-36(46)23-28-11-8-17-32(22-28)47-20-10-19-45(25-31-16-9-18-35(37(31)39)38(40,41)42)26-34(29-12-4-2-5-13-29)30-14-6-3-7-15-30;/h2-9,11-18,21-22,34H,10,19-20,23-26H2,1H3,(H,43,46);1H
InChIKeyDDNJOHHVEBVAOQ-UHFFFAOYSA-N
MW712.64 g/mol
LogP9.04
Rot. Bonds15

About 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride

2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride (PubChem CID 10349874) has the molecular formula C38H38Cl2F3N3O3 and a molecular weight of 712.64 g/mol. Its IUPAC name is 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride
PubChem CID10349874
Molecular FormulaC38H38Cl2F3N3O3
Molecular Weight712.64 g/mol
Exact Mass711.22
IUPAC Name2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride
SMILESCc1cc(CNC(=O)Cc2cccc(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)c2)on1.Cl
InChIInChI=1S/C38H37ClF3N3O3.ClH/c1-27-21-33(48-44-27)24-43-36(46)23-28-11-8-17-32(22-28)47-20-10-19-45(25-31-16-9-18-35(37(31)39)38(40,41)42)26-34(29-12-4-2-5-13-29)30-14-6-3-7-15-30;/h2-9,11-18,21-22,34H,10,19-20,23-26H2,1H3,(H,43,46);1H
InChIKeyDDNJOHHVEBVAOQ-UHFFFAOYSA-N
XLogP9.04
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.64
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride (CID 10349874) is 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride is Cc1cc(CNC(=O)Cc2cccc(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)c2)on1.Cl.
What is the InChIKey of 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride?
The InChIKey is DDNJOHHVEBVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37ClF3N3O3.ClH/c1-27-21-33(48-44-27)24-43-36(46)23-28-11-8-17-32(22-28)47-20-10-19-45(25-31-16-9-18-35(37(31)39)38(40,41)42)26-34(29-12-4-2-5-13-29)30-14-6-3-7-15-30;/h2-9,11-18,21-22,34H,10,19-20,23-26H2,1H3,(H,43,46);1H.
What are the key properties of 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride?
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride has a molecular weight of 712.64 g/mol, XLogP of 9.04, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 10349874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).