2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide

C15H18F3N5O — CID 171981923

IUPAC2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide
SMILESCCC(C)(c1nnnn1-c1ccccc1C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-5-14(3,22(4)13(24)15(16,17)18)12-19-20-21-23(12)11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3
InChIKeyIBTARZSAOGWRGT-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.62
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide (PubChem CID 171981923) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide
PubChem CID171981923
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide
SMILESCCC(C)(c1nnnn1-c1ccccc1C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-5-14(3,22(4)13(24)15(16,17)18)12-19-20-21-23(12)11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3
InChIKeyIBTARZSAOGWRGT-UHFFFAOYSA-N
XLogP2.62
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide (CID 171981923) is 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide is CCC(C)(c1nnnn1-c1ccccc1C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide?
The InChIKey is IBTARZSAOGWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-5-14(3,22(4)13(24)15(16,17)18)12-19-20-21-23(12)11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide is sourced from PubChem (CID 171981923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).