2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide

C22H17FN4O2 — CID 55990529

IUPAC2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H17FN4O2/c23-17-11-5-7-13-19(17)29-14-20(28)24-18-12-6-4-10-16(18)22-25-21(26-27-22)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,28)(H,25,26,27)
InChIKeyRBAMFVSZVRHCLM-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.30
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide

2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 55990529) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID55990529
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H17FN4O2/c23-17-11-5-7-13-19(17)29-14-20(28)24-18-12-6-4-10-16(18)22-25-21(26-27-22)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,28)(H,25,26,27)
InChIKeyRBAMFVSZVRHCLM-UHFFFAOYSA-N
XLogP4.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
CID 55990783
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55991546
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56684744
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55991295
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 86820912
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
2,2-dichloro-N-[2-[3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 10479055
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 55991293
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 55990529) is 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide is O=C(COc1ccccc1F)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is RBAMFVSZVRHCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-17-11-5-7-13-19(17)29-14-20(28)24-18-12-6-4-10-16(18)22-25-21(26-27-22)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,28)(H,25,26,27).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 55990529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).