(2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

C11H10F3N5O2 — CID 95568800

IUPAC(2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H10F3N5O2/c1-6(9(20)15-10-16-18-19-17-10)21-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H2,15,16,17,18,19,20)/t6-/m1/s1
InChIKeyVIBHQTDIHVTFNX-ZCFIWIBFSA-N
MW301.23 g/mol
LogP1.62
Rot. Bonds4

About (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

(2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95568800) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95568800
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name(2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H10F3N5O2/c1-6(9(20)15-10-16-18-19-17-10)21-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H2,15,16,17,18,19,20)/t6-/m1/s1
InChIKeyVIBHQTDIHVTFNX-ZCFIWIBFSA-N
XLogP1.62
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
2-(2,3-dimethylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953413
N-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 953388
2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17218037
2-(2,4-difluorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 24957549
2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 43021064
2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 145463959
2-(2,4-dimethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893151
N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 2971363
(2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 7364236

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95568800) is (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nn[nH]n1.
What is the InChIKey of (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is VIBHQTDIHVTFNX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-6(9(20)15-10-16-18-19-17-10)21-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H2,15,16,17,18,19,20)/t6-/m1/s1.
What are the key properties of (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 301.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95568800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).