3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

C18H19F3N2O2 — CID 109039807

IUPAC3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1ccccc1NCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-25-16-9-4-3-8-15(16)22-11-10-17(24)23-14-7-5-6-13(12-14)18(19,20)21/h3-9,12,22H,2,10-11H2,1H3,(H,23,24)
InChIKeyYCNHPGUWUYRHRR-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.54
Rot. Bonds7

About 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109039807) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID109039807
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1ccccc1NCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-25-16-9-4-3-8-15(16)22-11-10-17(24)23-14-7-5-6-13(12-14)18(19,20)21/h3-9,12,22H,2,10-11H2,1H3,(H,23,24)
InChIKeyYCNHPGUWUYRHRR-UHFFFAOYSA-N
XLogP4.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969461
methyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040725
N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
CID 109037963
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
methyl 3-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040726
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 109039807) is 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is CCOc1ccccc1NCCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YCNHPGUWUYRHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-2-25-16-9-4-3-8-15(16)22-11-10-17(24)23-14-7-5-6-13(12-14)18(19,20)21/h3-9,12,22H,2,10-11H2,1H3,(H,23,24).
What are the key properties of 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 352.36 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109039807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).