N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C18H17ClN4O2 — CID 7470748

IUPACN-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C18H17ClN4O2/c1-11-15(19)5-4-6-16(11)20-18(24)17-12(2)23(22-21-17)13-7-9-14(25-3)10-8-13/h4-10H,1-3H3,(H,20,24)
InChIKeyVXEDNLQTZIOIIF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.80
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 7470748) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID7470748
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C18H17ClN4O2/c1-11-15(19)5-4-6-16(11)20-18(24)17-12(2)23(22-21-17)13-7-9-14(25-3)10-8-13/h4-10H,1-3H3,(H,20,24)
InChIKeyVXEDNLQTZIOIIF-UHFFFAOYSA-N
XLogP3.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide 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 N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 7470748) is N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is VXEDNLQTZIOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-15(19)5-4-6-16(11)20-18(24)17-12(2)23(22-21-17)13-7-9-14(25-3)10-8-13/h4-10H,1-3H3,(H,20,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 7470748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).