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

C17H14F3N5O2 — CID 1373528

IUPAC2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H14F3N5O2/c1-27-14-7-2-4-11(8-14)16-22-24-25(23-16)10-15(26)21-13-6-3-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyZBZVQEUQRHMWES-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.01
Rot. Bonds5

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

2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1373528) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1373528
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H14F3N5O2/c1-27-14-7-2-4-11(8-14)16-22-24-25(23-16)10-15(26)21-13-6-3-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeyZBZVQEUQRHMWES-UHFFFAOYSA-N
XLogP3.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
N-(4-methoxyphenyl)-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzamide
CID 17435793
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701
methyl 3-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 2745013
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 36657784
N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6484449
N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 1265779
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1373528) is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is COc1cccc(-c2nnn(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZBZVQEUQRHMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-27-14-7-2-4-11(8-14)16-22-24-25(23-16)10-15(26)21-13-6-3-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,26).
What are the key properties of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1373528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).