5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

C16H13ClN4O2 — CID 169403109

IUPAC5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H13ClN4O2/c17-12-6-4-10(5-7-12)9-23-13-3-1-2-11(8-13)14-15(16(18)22)20-21-19-14/h1-8H,9H2,(H2,18,22)(H,19,20,21)
InChIKeyOWLOSZUMFJSTAT-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.80
Rot. Bonds5

About 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403109) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403109
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H13ClN4O2/c17-12-6-4-10(5-7-12)9-23-13-3-1-2-11(8-13)14-15(16(18)22)20-21-19-14/h1-8H,9H2,(H2,18,22)(H,19,20,21)
InChIKeyOWLOSZUMFJSTAT-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-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402462
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
ethyl 5-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400398
5-[4-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402704
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402542
(4-chlorophenyl)methyl 5-phenyl-2H-triazole-4-carboxylate
CID 100663799
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403348
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403109) is 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is OWLOSZUMFJSTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-6-4-10(5-7-12)9-23-13-3-1-2-11(8-13)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-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
5-[3-[(4-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-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).