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

C16H12F2N4O2 — CID 169402633

IUPAC5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1COc1cc(F)ccc1F
InChIInChI=1S/C16H12F2N4O2/c17-10-5-6-12(18)13(7-10)24-8-9-3-1-2-4-11(9)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22)
InChIKeyKKNXMIILVSBPET-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.43
Rot. Bonds5

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

5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402633) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
PubChem CID169402633
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1COc1cc(F)ccc1F
InChIInChI=1S/C16H12F2N4O2/c17-10-5-6-12(18)13(7-10)24-8-9-3-1-2-4-11(9)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22)
InChIKeyKKNXMIILVSBPET-UHFFFAOYSA-N
XLogP2.43
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402614
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403345
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-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
ethyl 5-[2-[(3-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxylate
CID 169399648
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402571
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
ethyl 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400350

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide (CID 169402633) is 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccccc1COc1cc(F)ccc1F.
What is the InChIKey of 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is KKNXMIILVSBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-10-5-6-12(18)13(7-10)24-8-9-3-1-2-4-11(9)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22).
What are the key properties of 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).