(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide

C16H17F3N2O3 — CID 98132560

IUPAC(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide
SMILESCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3/c1-3-8-21-15(23)11(9-20)14(22)10(2)24-13-7-5-4-6-12(13)16(17,18)19/h4-7,10-11H,3,8H2,1-2H3,(H,21,23)/t10-,11-/m1/s1
InChIKeyQNNCAPLTGFUXDS-GHMZBOCLSA-N
MW342.32 g/mol
LogP2.71
Rot. Bonds7

About (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide

(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide (PubChem CID 98132560) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide.

Molecular Properties

Compound Name(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide
PubChem CID98132560
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide
SMILESCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3/c1-3-8-21-15(23)11(9-20)14(22)10(2)24-13-7-5-4-6-12(13)16(17,18)19/h4-7,10-11H,3,8H2,1-2H3,(H,21,23)/t10-,11-/m1/s1
InChIKeyQNNCAPLTGFUXDS-GHMZBOCLSA-N
XLogP2.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-2-cyano-N-methyl-3-oxo-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98361877
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
(2R,4S)-4-(2-bromophenoxy)-2-cyano-N-methyl-3-oxopentanamide
CID 98360417
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
CID 61388884
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
(2S,4S)-2-cyano-4-ethoxy-3-oxo-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 98463828
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95298813
(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95307077
N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119667198
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide?
The IUPAC name of (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide (CID 98132560) is (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide.
What is the SMILES notation for (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide?
The canonical SMILES for (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide is CCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F.
What is the InChIKey of (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide?
The InChIKey is QNNCAPLTGFUXDS-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-3-8-21-15(23)11(9-20)14(22)10(2)24-13-7-5-4-6-12(13)16(17,18)19/h4-7,10-11H,3,8H2,1-2H3,(H,21,23)/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide?
(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide has a molecular weight of 342.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide is sourced from PubChem (CID 98132560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).