2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H14F3N5O2 — CID 576489

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2/c1-11-2-4-12(5-3-11)16-22-24-25(23-16)10-15(26)21-13-6-8-14(9-7-13)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeySZQBEGIAEPUSAI-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.19
Rot. Bonds5

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 576489) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID576489
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F3N5O2/c1-11-2-4-12(5-3-11)16-22-24-25(23-16)10-15(26)21-13-6-8-14(9-7-13)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKeySZQBEGIAEPUSAI-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 576489) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SZQBEGIAEPUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-11-2-4-12(5-3-11)16-22-24-25(23-16)10-15(26)21-13-6-8-14(9-7-13)27-17(18,19)20/h2-9H,10H2,1H3,(H,21,26).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 377.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 576489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).