N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C18H17ClN4O — CID 2151470

IUPACN-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-11-7-9-14(10-8-11)23-13(3)17(21-22-23)18(24)20-16-6-4-5-15(19)12(16)2/h4-10H,1-3H3,(H,20,24)
InChIKeyMKYOELCFRXQNDD-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.10
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 2151470) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID2151470
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-11-7-9-14(10-8-11)23-13(3)17(21-22-23)18(24)20-16-6-4-5-15(19)12(16)2/h4-10H,1-3H3,(H,20,24)
InChIKeyMKYOELCFRXQNDD-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 2151470) is N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is MKYOELCFRXQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-7-9-14(10-8-11)23-13(3)17(21-22-23)18(24)20-16-6-4-5-15(19)12(16)2/h4-10H,1-3H3,(H,20,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 2151470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).