N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

C19H19FN4O2 — CID 171138786

IUPACN-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESO=C(COc1ncn(-c2ccccc2)n1)NCCCc1ccccc1F
InChIInChI=1S/C19H19FN4O2/c20-17-11-5-4-7-15(17)8-6-12-21-18(25)13-26-19-22-14-24(23-19)16-9-2-1-3-10-16/h1-5,7,9-11,14H,6,8,12-13H2,(H,21,25)
InChIKeySHOLCZAECTUBIT-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.53
Rot. Bonds8

About N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 171138786) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID171138786
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESO=C(COc1ncn(-c2ccccc2)n1)NCCCc1ccccc1F
InChIInChI=1S/C19H19FN4O2/c20-17-11-5-4-7-15(17)8-6-12-21-18(25)13-26-19-22-14-24(23-19)16-9-2-1-3-10-16/h1-5,7,9-11,14H,6,8,12-13H2,(H,21,25)
InChIKeySHOLCZAECTUBIT-UHFFFAOYSA-N
XLogP2.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138808
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
CID 100829206
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]propanamide
CID 100830150
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 55719016
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138723
N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820014
N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 131892196
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111361270
N-[2-(2-fluorophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 9199968
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (CID 171138786) is N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is O=C(COc1ncn(-c2ccccc2)n1)NCCCc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is SHOLCZAECTUBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-17-11-5-4-7-15(17)8-6-12-21-18(25)13-26-19-22-14-24(23-19)16-9-2-1-3-10-16/h1-5,7,9-11,14H,6,8,12-13H2,(H,21,25).
What are the key properties of N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 171138786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).