5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

C16H13ClN4O2 — CID 169402786

IUPAC5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C16H13ClN4O2/c17-12-7-3-1-5-10(12)9-23-13-8-4-2-6-11(13)14-15(16(18)22)20-21-19-14/h1-8H,9H2,(H2,18,22)(H,19,20,21)
InChIKeyAFACOAGUSCYLTB-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.80
Rot. Bonds5

About 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402786) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169402786
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C16H13ClN4O2/c17-12-7-3-1-5-10(12)9-23-13-8-4-2-6-11(13)14-15(16(18)22)20-21-19-14/h1-8H,9H2,(H2,18,22)(H,19,20,21)
InChIKeyAFACOAGUSCYLTB-UHFFFAOYSA-N
XLogP2.80
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402633
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403345
5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402614
5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403698
5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403652
ethyl 5-[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169401123
5-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403329
ethyl 5-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169400372
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404204
5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403663

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (CID 169402786) is 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is AFACOAGUSCYLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-7-3-1-5-10(12)9-23-13-8-4-2-6-11(13)14-15(16(18)22)20-21-19-14/h1-8H,9H2,(H2,18,22)(H,19,20,21).
What are the key properties of 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).