N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide

C25H23ClN4O2 — CID 155512830

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide
SMILESCOc1ccc(-c2nc(C)nn2-c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-17-28-24(19-8-12-23(32-2)13-9-19)30(29-17)22-5-3-4-20(16-22)25(31)27-15-14-18-6-10-21(26)11-7-18/h3-13,16H,14-15H2,1-2H3,(H,27,31)
InChIKeyRZTPSRKGEPYLEC-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.88
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide

N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide (PubChem CID 155512830) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide
PubChem CID155512830
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide
SMILESCOc1ccc(-c2nc(C)nn2-c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-17-28-24(19-8-12-23(32-2)13-9-19)30(29-17)22-5-3-4-20(16-22)25(31)27-15-14-18-6-10-21(26)11-7-18/h3-13,16H,14-15H2,1-2H3,(H,27,31)
InChIKeyRZTPSRKGEPYLEC-UHFFFAOYSA-N
XLogP4.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide 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

3-[5-ethyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473863
3-[3-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473872
3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473890
3-[3-ethyl-5-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473905
2-(4-Chlorophenyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4565188
3-[5-[4-(difluoromethoxy)phenyl]-3-ethyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155543444
3-[3-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155544375
N-hydroxy-4-[[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164622695
N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 3425642
3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473855
N-{[6-(4-Chlorophenyl)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]methyl}-3-fluoro-4-methoxybenzamide
CID 91893436

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide (CID 155512830) is N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide is COc1ccc(-c2nc(C)nn2-c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide?
The InChIKey is RZTPSRKGEPYLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-17-28-24(19-8-12-23(32-2)13-9-19)30(29-17)22-5-3-4-20(16-22)25(31)27-15-14-18-6-10-21(26)11-7-18/h3-13,16H,14-15H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]benzamide is sourced from PubChem (CID 155512830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).