2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide

C17H15F3N6O2 — CID 55632694

IUPAC2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)10-28-16-13(2-1-7-21-16)9-22-15(27)8-12-3-5-14(6-4-12)26-11-23-24-25-26/h1-7,11H,8-10H2,(H,22,27)
InChIKeyIUKCUAJPBNZRPY-UHFFFAOYSA-N
MW392.34 g/mol
LogP1.86
Rot. Bonds7

About 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide

2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 55632694) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
PubChem CID55632694
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H15F3N6O2/c18-17(19,20)10-28-16-13(2-1-7-21-16)9-22-15(27)8-12-3-5-14(6-4-12)26-11-23-24-25-26/h1-7,11H,8-10H2,(H,22,27)
InChIKeyIUKCUAJPBNZRPY-UHFFFAOYSA-N
XLogP1.86
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55601487
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
4-(2-oxopiperidin-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55614012
4-[[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030227
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540517
N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
2-(2-bromo-4,5-diethoxyphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 46447585
ethyl 5-methyl-1-[4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 38305639
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide (CID 55632694) is 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is IUKCUAJPBNZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-17(19,20)10-28-16-13(2-1-7-21-16)9-22-15(27)8-12-3-5-14(6-4-12)26-11-23-24-25-26/h1-7,11H,8-10H2,(H,22,27).
What are the key properties of 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 392.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55632694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).