N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide

C12H12F3N5O2 — CID 138051378

IUPACN-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCOCCn1nnnc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N5O2/c1-22-7-6-20-11(17-18-19-20)16-10(21)8-4-2-3-5-9(8)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,17,19,21)
InChIKeyGJDIVWGRCFYQHQ-UHFFFAOYSA-N
MW315.25 g/mol
LogP1.59
Rot. Bonds5

About N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide

N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 138051378) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID138051378
Molecular FormulaC12H12F3N5O2
Molecular Weight315.25 g/mol
Exact Mass315.09
IUPAC NameN-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCOCCn1nnnc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N5O2/c1-22-7-6-20-11(17-18-19-20)16-10(21)8-4-2-3-5-9(8)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,17,19,21)
InChIKeyGJDIVWGRCFYQHQ-UHFFFAOYSA-N
XLogP1.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide (CID 138051378) is N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide is COCCn1nnnc1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is GJDIVWGRCFYQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-22-7-6-20-11(17-18-19-20)16-10(21)8-4-2-3-5-9(8)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,17,19,21).
What are the key properties of N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide?
N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 315.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 138051378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).