(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

C15H10F3N5O2 — CID 95298813

IUPAC(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C15H10F3N5O2/c1-8(25-12-5-3-2-4-9(12)15(16,17)18)13(24)23-14-21-10(6-19)11(7-20)22-14/h2-5,8H,1H3,(H2,21,22,23,24)/t8-/m1/s1
InChIKeyJFWWENJCLQGVLU-MRVPVSSYSA-N
MW349.27 g/mol
LogP2.58
Rot. Bonds4

About (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95298813) has the molecular formula C15H10F3N5O2 and a molecular weight of 349.27 g/mol. Its IUPAC name is (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95298813
Molecular FormulaC15H10F3N5O2
Molecular Weight349.27 g/mol
Exact Mass349.08
IUPAC Name(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C15H10F3N5O2/c1-8(25-12-5-3-2-4-9(12)15(16,17)18)13(24)23-14-21-10(6-19)11(7-20)22-14/h2-5,8H,1H3,(H2,21,22,23,24)/t8-/m1/s1
InChIKeyJFWWENJCLQGVLU-MRVPVSSYSA-N
XLogP2.58
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097
N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
CID 46596655
(2R,4R)-2-cyano-N-methyl-3-oxo-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98361877
(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98132560
(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95284436
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 97248963
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95308650

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95298813) is (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C#N)c(C#N)[nH]1.
What is the InChIKey of (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is JFWWENJCLQGVLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H10F3N5O2/c1-8(25-12-5-3-2-4-9(12)15(16,17)18)13(24)23-14-21-10(6-19)11(7-20)22-14/h2-5,8H,1H3,(H2,21,22,23,24)/t8-/m1/s1.
What are the key properties of (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 349.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95298813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).