(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide

C15H16F3N3O2 — CID 95278922

IUPAC(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCn1ccnc1
InChIInChI=1S/C15H16F3N3O2/c1-11(14(22)20-7-9-21-8-6-19-10-21)23-13-5-3-2-4-12(13)15(16,17)18/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyAGQQWEIWXUJTDM-NSHDSACASA-N
MW327.31 g/mol
LogP2.49
Rot. Bonds6

About (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide

(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95278922) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95278922
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCn1ccnc1
InChIInChI=1S/C15H16F3N3O2/c1-11(14(22)20-7-9-21-8-6-19-10-21)23-13-5-3-2-4-12(13)15(16,17)18/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyAGQQWEIWXUJTDM-NSHDSACASA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95308650
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097
(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95307077
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95284436
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
CID 62313288
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95278922) is (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide is C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCn1ccnc1.
What is the InChIKey of (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is AGQQWEIWXUJTDM-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-11(14(22)20-7-9-21-8-6-19-10-21)23-13-5-3-2-4-12(13)15(16,17)18/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 327.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95278922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).