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

C17H14Cl2N4O2 — CID 6493767

IUPACN-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C17H14Cl2N4O2/c1-10-16(17(24)20-15-8-3-11(18)9-14(15)19)21-22-23(10)12-4-6-13(25-2)7-5-12/h3-9H,1-2H3,(H,20,24)
InChIKeyYMDQYIQEGNFWDA-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.14
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 6493767) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID6493767
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC NameN-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C17H14Cl2N4O2/c1-10-16(17(24)20-15-8-3-11(18)9-14(15)19)21-22-23(10)12-4-6-13(25-2)7-5-12/h3-9H,1-2H3,(H,20,24)
InChIKeyYMDQYIQEGNFWDA-UHFFFAOYSA-N
XLogP4.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 6493767) is N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is YMDQYIQEGNFWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-10-16(17(24)20-15-8-3-11(18)9-14(15)19)21-22-23(10)12-4-6-13(25-2)7-5-12/h3-9H,1-2H3,(H,20,24).
What are the key properties of N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 6493767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).