2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide

C19H21F3N2O2 — CID 3046201

IUPAC2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCNc1ccc(OCC(=O)NC(C)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-13(10-14-4-3-5-15(11-14)19(20,21)22)24-18(25)12-26-17-8-6-16(23-2)7-9-17/h3-9,11,13,23H,10,12H2,1-2H3,(H,24,25)
InChIKeyQMAFOOQZJJIABU-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.87
Rot. Bonds7

About 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide

2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide (PubChem CID 3046201) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
PubChem CID3046201
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCNc1ccc(OCC(=O)NC(C)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-13(10-14-4-3-5-15(11-14)19(20,21)22)24-18(25)12-26-17-8-6-16(23-2)7-9-17/h3-9,11,13,23H,10,12H2,1-2H3,(H,24,25)
InChIKeyQMAFOOQZJJIABU-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide (CID 3046201) is 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide is CNc1ccc(OCC(=O)NC(C)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The InChIKey is QMAFOOQZJJIABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-13(10-14-4-3-5-15(11-14)19(20,21)22)24-18(25)12-26-17-8-6-16(23-2)7-9-17/h3-9,11,13,23H,10,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 3046201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).