2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide

C21H16FN5O2 — CID 8023934

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16FN5O2/c22-16-6-4-5-15(13-16)21-24-26-27(25-21)14-20(28)23-17-9-11-19(12-10-17)29-18-7-2-1-3-8-18/h1-13H,14H2,(H,23,28)
InChIKeyKJUJPWJSHHKQIV-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.91
Rot. Bonds6

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 8023934) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID8023934
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16FN5O2/c22-16-6-4-5-15(13-16)21-24-26-27(25-21)14-20(28)23-17-9-11-19(12-10-17)29-18-7-2-1-3-8-18/h1-13H,14H2,(H,23,28)
InChIKeyKJUJPWJSHHKQIV-UHFFFAOYSA-N
XLogP3.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921125
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide (CID 8023934) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is KJUJPWJSHHKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-16-6-4-5-15(13-16)21-24-26-27(25-21)14-20(28)23-17-9-11-19(12-10-17)29-18-7-2-1-3-8-18/h1-13H,14H2,(H,23,28).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 389.39 g/mol, XLogP of 3.91, 6 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-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 8023934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).