3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C19H20F3NO2 — CID 8871410

IUPAC3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO2/c1-13-6-7-14(2)17(10-13)25-9-8-18(24)23-12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyBIFCXFLRAJYSJN-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.41
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 8871410) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID8871410
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO2/c1-13-6-7-14(2)17(10-13)25-9-8-18(24)23-12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyBIFCXFLRAJYSJN-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18267708
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
3-(2,5-dimethylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 29290670
N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 30456737

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 8871410) is 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is Cc1ccc(C)c(OCCC(=O)NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is BIFCXFLRAJYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-13-6-7-14(2)17(10-13)25-9-8-18(24)23-12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 351.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 8871410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).