N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide

C18H16Cl2N4O — CID 16649120

IUPACN-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-3-12-4-7-14(8-5-12)24-11(2)17(22-23-24)18(25)21-16-9-6-13(19)10-15(16)20/h4-10H,3H2,1-2H3,(H,21,25)
InChIKeyMCEQJYOFHGMUGK-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.70
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16649120) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16649120
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC NameN-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-3-12-4-7-14(8-5-12)24-11(2)17(22-23-24)18(25)21-16-9-6-13(19)10-15(16)20/h4-10H,3H2,1-2H3,(H,21,25)
InChIKeyMCEQJYOFHGMUGK-UHFFFAOYSA-N
XLogP4.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide (CID 16649120) is N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide is CCc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is MCEQJYOFHGMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-3-12-4-7-14(8-5-12)24-11(2)17(22-23-24)18(25)21-16-9-6-13(19)10-15(16)20/h4-10H,3H2,1-2H3,(H,21,25).
What are the key properties of N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16649120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).