2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide

C20H20F3NO2 — CID 143091057

IUPAC2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide
SMILESC=C(CN(C(=O)c1c(F)cc(F)cc1F)c1ccccc1)OC(C)(C)C
InChIInChI=1S/C20H20F3NO2/c1-13(26-20(2,3)4)12-24(15-8-6-5-7-9-15)19(25)18-16(22)10-14(21)11-17(18)23/h5-11H,1,12H2,2-4H3
InChIKeyWLBCEUIKFIQNBB-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.08
Rot. Bonds5

About 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide

2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide (PubChem CID 143091057) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide
PubChem CID143091057
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide
SMILESC=C(CN(C(=O)c1c(F)cc(F)cc1F)c1ccccc1)OC(C)(C)C
InChIInChI=1S/C20H20F3NO2/c1-13(26-20(2,3)4)12-24(15-8-6-5-7-9-15)19(25)18-16(22)10-14(21)11-17(18)23/h5-11H,1,12H2,2-4H3
InChIKeyWLBCEUIKFIQNBB-UHFFFAOYSA-N
XLogP5.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide?
The IUPAC name of 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide (CID 143091057) is 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide is C=C(CN(C(=O)c1c(F)cc(F)cc1F)c1ccccc1)OC(C)(C)C.
What is the InChIKey of 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide?
The InChIKey is WLBCEUIKFIQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-13(26-20(2,3)4)12-24(15-8-6-5-7-9-15)19(25)18-16(22)10-14(21)11-17(18)23/h5-11H,1,12H2,2-4H3.
What are the key properties of 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide?
2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide has a molecular weight of 363.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-N-phenylbenzamide is sourced from PubChem (CID 143091057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).