5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide

C17H14Cl2N4O3 — CID 169403698

IUPAC5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2n[nH]nc2C(N)=O)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N4O3/c1-25-13-7-2-4-9(14-15(17(20)24)22-23-21-14)16(13)26-8-10-11(18)5-3-6-12(10)19/h2-7H,8H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyNOFWIJUZLBUIIX-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.46
Rot. Bonds6

About 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide

5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide (PubChem CID 169403698) has the molecular formula C17H14Cl2N4O3 and a molecular weight of 393.23 g/mol. Its IUPAC name is 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
PubChem CID169403698
Molecular FormulaC17H14Cl2N4O3
Molecular Weight393.23 g/mol
Exact Mass392.04
IUPAC Name5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2n[nH]nc2C(N)=O)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N4O3/c1-25-13-7-2-4-9(14-15(17(20)24)22-23-21-14)16(13)26-8-10-11(18)5-3-6-12(10)19/h2-7H,8H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyNOFWIJUZLBUIIX-UHFFFAOYSA-N
XLogP3.46
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403329
5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403701
5-[2-(3-cyanopropoxy)-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403937
ethyl 5-(2-ethoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169399469
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
ethyl 5-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169400705
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
CID 168554744

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide (CID 169403698) is 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide is COc1cccc(-c2n[nH]nc2C(N)=O)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
The InChIKey is NOFWIJUZLBUIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3/c1-25-13-7-2-4-9(14-15(17(20)24)22-23-21-14)16(13)26-8-10-11(18)5-3-6-12(10)19/h2-7H,8H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide has a molecular weight of 393.23 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).