5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide

C16H13FN4O2 — CID 169402614

IUPAC5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1COc1ccc(F)cc1
InChIInChI=1S/C16H13FN4O2/c17-11-5-7-12(8-6-11)23-9-10-3-1-2-4-13(10)14-15(16(18)22)20-21-19-14/h1-8H,9H2,(H2,18,22)(H,19,20,21)
InChIKeyNDFFGCCVJUXIPF-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.29
Rot. Bonds5

About 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide

5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402614) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
PubChem CID169402614
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1COc1ccc(F)cc1
InChIInChI=1S/C16H13FN4O2/c17-11-5-7-12(8-6-11)23-9-10-3-1-2-4-13(10)14-15(16(18)22)20-21-19-14/h1-8H,9H2,(H2,18,22)(H,19,20,21)
InChIKeyNDFFGCCVJUXIPF-UHFFFAOYSA-N
XLogP2.29
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402633
ethyl 5-[2-[(3-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxylate
CID 169399648
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
5-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403329
5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402571
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404204
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
ethyl 5-[2-(4-fluorophenoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399795
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide (CID 169402614) is 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccccc1COc1ccc(F)cc1.
What is the InChIKey of 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is NDFFGCCVJUXIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-11-5-7-12(8-6-11)23-9-10-3-1-2-4-13(10)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-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).