3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

C22H26F3NO2 — CID 69342869

IUPAC3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCC(CCc1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1)OC
InChIInChI=1S/C22H26F3NO2/c1-3-19(28-2)12-11-15-7-9-16(10-8-15)13-20(21(26)27)17-5-4-6-18(14-17)22(23,24)25/h4-10,14,19-20H,3,11-13H2,1-2H3,(H2,26,27)
InChIKeyZWCXKYKFLZOVMQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.87
Rot. Bonds9

About 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 69342869) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID69342869
Molecular FormulaC22H26F3NO2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCC(CCc1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1)OC
InChIInChI=1S/C22H26F3NO2/c1-3-19(28-2)12-11-15-7-9-16(10-8-15)13-20(21(26)27)17-5-4-6-18(14-17)22(23,24)25/h4-10,14,19-20H,3,11-13H2,1-2H3,(H2,26,27)
InChIKeyZWCXKYKFLZOVMQ-UHFFFAOYSA-N
XLogP4.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide 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 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 69342869) is 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is CCC(CCc1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1)OC.
What is the InChIKey of 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZWCXKYKFLZOVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-3-19(28-2)12-11-15-7-9-16(10-8-15)13-20(21(26)27)17-5-4-6-18(14-17)22(23,24)25/h4-10,14,19-20H,3,11-13H2,1-2H3,(H2,26,27).
What are the key properties of 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 393.45 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxypentyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 69342869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).