5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide

C16H12F2N4O2 — CID 169402724

IUPAC5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(COc2cccc(F)c2F)c1
InChIInChI=1S/C16H12F2N4O2/c17-11-5-2-6-12(13(11)18)24-8-9-3-1-4-10(7-9)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22)
InChIKeyNQVPJAJJVMKXFW-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.43
Rot. Bonds5

About 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide

5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402724) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
PubChem CID169402724
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(COc2cccc(F)c2F)c1
InChIInChI=1S/C16H12F2N4O2/c17-11-5-2-6-12(13(11)18)24-8-9-3-1-4-10(7-9)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22)
InChIKeyNQVPJAJJVMKXFW-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-[4-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402704
5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402462
5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169403261
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-[3-(azepan-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402644
5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403348

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide (CID 169402724) is 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cccc(COc2cccc(F)c2F)c1.
What is the InChIKey of 5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is NQVPJAJJVMKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-11-5-2-6-12(13(11)18)24-8-9-3-1-4-10(7-9)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-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide?
5-[3-[(2,3-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-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).