2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide

C24H21F3N2O4 — CID 53301913

IUPAC2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O4/c1-15(2)32-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)29-23(31)19-11-4-6-13-21(19)33-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
InChIKeyOGUJLTSCHPIURC-UHFFFAOYSA-N
MW458.44 g/mol
LogP5.88
Rot. Bonds7

About 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide

2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide (PubChem CID 53301913) has the molecular formula C24H21F3N2O4 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
PubChem CID53301913
Molecular FormulaC24H21F3N2O4
Molecular Weight458.44 g/mol
Exact Mass458.15
IUPAC Name2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O4/c1-15(2)32-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)29-23(31)19-11-4-6-13-21(19)33-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
InChIKeyOGUJLTSCHPIURC-UHFFFAOYSA-N
XLogP5.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide 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-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide (CID 53301913) is 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide is CC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide?
The InChIKey is OGUJLTSCHPIURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4/c1-15(2)32-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)29-23(31)19-11-4-6-13-21(19)33-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide?
2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide has a molecular weight of 458.44 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 53301913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).