N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide

C13H16F3NO2 — CID 891620

IUPACN-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(2)17-12(18)11-5-3-10(4-6-11)7-19-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyJOZSNUSRAYBHSA-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.90
Rot. Bonds5

About N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 891620) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID891620
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(2)17-12(18)11-5-3-10(4-6-11)7-19-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyJOZSNUSRAYBHSA-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)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 N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 891620) is N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide is CC(C)NC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is JOZSNUSRAYBHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(2)17-12(18)11-5-3-10(4-6-11)7-19-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 891620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).