N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide

C18H17ClN4O — CID 2150362

IUPACN-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-3-13-8-10-14(11-9-13)23-12(2)17(21-22-23)18(24)20-16-7-5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyTUKDUIYHODMUCS-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.04
Rot. Bonds4

About N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide

N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 2150362) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID2150362
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-3-13-8-10-14(11-9-13)23-12(2)17(21-22-23)18(24)20-16-7-5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyTUKDUIYHODMUCS-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide (CID 2150362) is N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide is CCc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1.
What is the InChIKey of N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is TUKDUIYHODMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-3-13-8-10-14(11-9-13)23-12(2)17(21-22-23)18(24)20-16-7-5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H,20,24).
What are the key properties of N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 2150362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).