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

C11H10F3N5O2 — CID 95568799

IUPAC(2S)-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-/m0/s1
InChIKeyVIBHQTDIHVTFNX-LURJTMIESA-N
MW301.23 g/mol
LogP1.62
Rot. Bonds4

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

(2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95568799) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95568799
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name(2S)-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-/m0/s1
InChIKeyVIBHQTDIHVTFNX-LURJTMIESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95568799) is (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-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 (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is VIBHQTDIHVTFNX-LURJTMIESA-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-/m0/s1.
What are the key properties of (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2S)-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 (2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95568799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).