3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide

C17H13F6NO2 — CID 87779433

IUPAC3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide
SMILESNC(=O)C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)11-6-12(17(21,22)23)8-13(7-11)26-9-14(15(24)25)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,24,25)
InChIKeyHOKJQIBOIQTBII-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.37
Rot. Bonds5

About 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide

3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide (PubChem CID 87779433) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide
PubChem CID87779433
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC Name3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide
SMILESNC(=O)C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)11-6-12(17(21,22)23)8-13(7-11)26-9-14(15(24)25)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,24,25)
InChIKeyHOKJQIBOIQTBII-UHFFFAOYSA-N
XLogP4.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 113268835
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
3-[3,5-bis(trifluoromethyl)phenyl]-3-phenylpropanoic acid
CID 132543215
[4-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxycarbonyl]phenyl]-diphenylsulfanium
CID 171721905
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
CID 117241340
2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
CID 13242436
3-(4-chloro-3,5-dimethylphenoxy)-2-phenylpropanoic acid
CID 63074496
(2R)-2-phenylbutanamide
CID 139147476
3-chloro-2-phenylpropanamide
CID 123321549
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide (CID 87779433) is 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide is NC(=O)C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide?
The InChIKey is HOKJQIBOIQTBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c18-16(19,20)11-6-12(17(21,22)23)8-13(7-11)26-9-14(15(24)25)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,24,25).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide?
3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide has a molecular weight of 377.28 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide is sourced from PubChem (CID 87779433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).