2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C18H17FN4O2 — CID 18132392

IUPAC2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17FN4O2/c19-16-3-1-2-4-17(16)25-11-18(24)21-9-14-5-7-15(8-6-14)10-23-13-20-12-22-23/h1-8,12-13H,9-11H2,(H,21,24)
InChIKeyNQKKVDBYURHCSY-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.16
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 18132392) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID18132392
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17FN4O2/c19-16-3-1-2-4-17(16)25-11-18(24)21-9-14-5-7-15(8-6-14)10-23-13-20-12-22-23/h1-8,12-13H,9-11H2,(H,21,24)
InChIKeyNQKKVDBYURHCSY-UHFFFAOYSA-N
XLogP2.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-{4-[(1H-1,2,4-triazol-3-ylamino)methyl]phenoxy}acetamide
CID 962363
Urea, 1-cyclohexyl-3-((p-((4H-1,2,4-triazol-4-ylimino)methyl)phenoxy)acetyl)-
CID 9588055
1-{3-[(4-Benzyl-4H-1,2,4-triazol-3-YL)methyl]pyrrolidin-1-YL}-2-(4-fluorophenoxy)ethan-1-one
CID 124041190
1-{3,5-bis[(3-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone
CID 16467323
1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone
CID 16468277
N-{2-[2-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethyl}-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 45205078
N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide
CID 5142581
N-[1-(4-fluorophenoxy)-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-iodobenzamide
CID 10205191
N-[(2R)-1-(4-fluorophenoxy)-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-iodobenzamide
CID 53241559
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 147463204
1-[3,5-bis(benzylamino)-1H-1,2,4-triazol-1-yl]-2-phenoxyethanone
CID 2234055
1-[5-Tert-butyl-3-phenyl-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazol-2-yl]-2-phenoxyethanone
CID 71652481

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 18132392) is 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccccc1F)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is NQKKVDBYURHCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-16-3-1-2-4-17(16)25-11-18(24)21-9-14-5-7-15(8-6-14)10-23-13-20-12-22-23/h1-8,12-13H,9-11H2,(H,21,24).
What are the key properties of 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18132392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).