2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide

C17H16FN5O2 — CID 8586996

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)NCCOc1ccccc1
InChIInChI=1S/C17H16FN5O2/c18-14-6-4-5-13(11-14)17-20-22-23(21-17)12-16(24)19-9-10-25-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,19,24)
InChIKeyIMHSQINEYDDNCN-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.67
Rot. Bonds7

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 8586996) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID8586996
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)NCCOc1ccccc1
InChIInChI=1S/C17H16FN5O2/c18-14-6-4-5-13(11-14)17-20-22-23(21-17)12-16(24)19-9-10-25-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,19,24)
InChIKeyIMHSQINEYDDNCN-UHFFFAOYSA-N
XLogP1.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491021
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598220
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide (CID 8586996) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)NCCOc1ccccc1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is IMHSQINEYDDNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-14-6-4-5-13(11-14)17-20-22-23(21-17)12-16(24)19-9-10-25-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,19,24).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 341.35 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 8586996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).