3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

C21H22F3NO2 — CID 69343347

IUPAC3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC1(c2ccc(CC(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)CCC1
InChIInChI=1S/C21H22F3NO2/c1-27-20(10-3-11-20)16-8-6-14(7-9-16)12-18(19(25)26)15-4-2-5-17(13-15)21(22,23)24/h2,4-9,13,18H,3,10-12H2,1H3,(H2,25,26)
InChIKeyHQHUFVABRLYVHN-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.54
Rot. Bonds6

About 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 69343347) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID69343347
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC1(c2ccc(CC(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)CCC1
InChIInChI=1S/C21H22F3NO2/c1-27-20(10-3-11-20)16-8-6-14(7-9-16)12-18(19(25)26)15-4-2-5-17(13-15)21(22,23)24/h2,4-9,13,18H,3,10-12H2,1H3,(H2,25,26)
InChIKeyHQHUFVABRLYVHN-UHFFFAOYSA-N
XLogP4.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(1-methoxycyclobutyl)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-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 69343347) is 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is COC1(c2ccc(CC(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)CCC1.
What is the InChIKey of 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HQHUFVABRLYVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-27-20(10-3-11-20)16-8-6-14(7-9-16)12-18(19(25)26)15-4-2-5-17(13-15)21(22,23)24/h2,4-9,13,18H,3,10-12H2,1H3,(H2,25,26).
What are the key properties of 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 377.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 69343347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).