(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide

C17H15F4NO2 — CID 28578484

IUPAC(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F4NO2/c1-2-15(24-14-8-6-12(18)7-9-14)16(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10,15H,2H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyHCADGJSMVLYQCN-HNNXBMFYSA-N
MW341.30 g/mol
LogP4.64
Rot. Bonds5

About (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide

(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 28578484) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID28578484
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F4NO2/c1-2-15(24-14-8-6-12(18)7-9-14)16(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10,15H,2H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyHCADGJSMVLYQCN-HNNXBMFYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
CID 92679949
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
CID 46772392
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 28634034
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 92681503
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 28578484) is (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HCADGJSMVLYQCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15F4NO2/c1-2-15(24-14-8-6-12(18)7-9-14)16(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10,15H,2H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 341.30 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 28578484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).