4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide

C17H16F3NO2 — CID 806811

IUPAC4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-11(2)23-15-8-6-12(7-9-15)16(22)21-14-5-3-4-13(10-14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyOZYWBTPIWXJIOS-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.74
Rot. Bonds4

About 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide

4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 806811) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID806811
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-11(2)23-15-8-6-12(7-9-15)16(22)21-14-5-3-4-13(10-14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyOZYWBTPIWXJIOS-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yloxy-N-[3-(trifluoromethyl)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

Related Compounds

methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4137017
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 806811) is 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide is CC(C)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OZYWBTPIWXJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11(2)23-15-8-6-12(7-9-15)16(22)21-14-5-3-4-13(10-14)17(18,19)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide?
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 323.31 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 806811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).