N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide

C16H20F3NO2 — CID 91915481

IUPACN-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide
SMILESCCCN(CC1CCOC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-2-8-20(10-12-7-9-22-11-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h3-6,12H,2,7-11H2,1H3
InChIKeyACUIPLLEBIHIAU-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.59
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide

N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide (PubChem CID 91915481) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide
PubChem CID91915481
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide
SMILESCCCN(CC1CCOC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-2-8-20(10-12-7-9-22-11-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h3-6,12H,2,7-11H2,1H3
InChIKeyACUIPLLEBIHIAU-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)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-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide (CID 91915481) is N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide is CCCN(CC1CCOC1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide?
The InChIKey is ACUIPLLEBIHIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-2-8-20(10-12-7-9-22-11-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h3-6,12H,2,7-11H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide?
N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide has a molecular weight of 315.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91915481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).