N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide

C11H10F3N5O — CID 652435

IUPACN-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCn1nnc(-c2ccccc2NC(=O)C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c1-2-19-17-9(16-18-19)7-5-3-4-6-8(7)15-10(20)11(12,13)14/h3-6H,2H2,1H3,(H,15,20)
InChIKeyZILHLMAHBMNJLM-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.86
Rot. Bonds3

About N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide

N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 652435) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID652435
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCn1nnc(-c2ccccc2NC(=O)C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c1-2-19-17-9(16-18-19)7-5-3-4-6-8(7)15-10(20)11(12,13)14/h3-6H,2H2,1H3,(H,15,20)
InChIKeyZILHLMAHBMNJLM-UHFFFAOYSA-N
XLogP1.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
N-(2,6-Diisopropyl-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-acetamide
CID 9868635
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
3-(2-(4-fluorophenyl)-2H-tetrazol-5-yl)quinolin-2-ol
CID 135463515
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-(5-(2-((3-fluorophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethanol
CID 135371774
2-[5-[3-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372018
1-Cyclopropyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
CID 135372020

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide (CID 652435) is N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide is CCn1nnc(-c2ccccc2NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZILHLMAHBMNJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-2-19-17-9(16-18-19)7-5-3-4-6-8(7)15-10(20)11(12,13)14/h3-6H,2H2,1H3,(H,15,20).
What are the key properties of N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 285.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyltetrazol-5-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 652435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).