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

C16H11F4N5O — CID 7713296

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F4N5O/c17-12-6-4-10(5-7-12)15-22-24-25(23-15)9-14(26)21-13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyVGEAQBRQWXCGCM-UHFFFAOYSA-N
MW365.29 g/mol
LogP3.14
Rot. Bonds4

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

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7713296) has the molecular formula C16H11F4N5O and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7713296
Molecular FormulaC16H11F4N5O
Molecular Weight365.29 g/mol
Exact Mass365.09
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F4N5O/c17-12-6-4-10(5-7-12)15-22-24-25(23-15)9-14(26)21-13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyVGEAQBRQWXCGCM-UHFFFAOYSA-N
XLogP3.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1454628
N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 1265779
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16517343
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
CID 1463687
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7713296) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VGEAQBRQWXCGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O/c17-12-6-4-10(5-7-12)15-22-24-25(23-15)9-14(26)21-13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,26).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 365.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7713296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).