3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide

C11H13F3N2O2 — CID 62324537

IUPAC3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16-10(17)4-5-18-9-3-2-7(15)6-8(9)11(12,13)14/h2-3,6H,4-5,15H2,1H3,(H,16,17)
InChIKeyQIQIAKATVHSRCL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.80
Rot. Bonds4

About 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide

3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide (PubChem CID 62324537) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
PubChem CID62324537
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16-10(17)4-5-18-9-3-2-7(15)6-8(9)11(12,13)14/h2-3,6H,4-5,15H2,1H3,(H,16,17)
InChIKeyQIQIAKATVHSRCL-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-bromophenoxy)-N-methylpropanamide
CID 103008818
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
4-[2-amino-4-(trifluoromethyl)phenoxy]-N-methylbutanamide
CID 82007494
4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
4-[3-(ethylamino)-3-oxopropoxy]-3-(trifluoromethyl)benzoic acid
CID 63320573
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
4-methoxy-3-[3-(methylamino)-3-oxopropoxy]benzoic acid
CID 62326859
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide (CID 62324537) is 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide?
The InChIKey is QIQIAKATVHSRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16-10(17)4-5-18-9-3-2-7(15)6-8(9)11(12,13)14/h2-3,6H,4-5,15H2,1H3,(H,16,17).
What are the key properties of 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide?
3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide has a molecular weight of 262.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62324537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).