N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C20H20F3NO2 — CID 69342110

IUPACN-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOC1(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C20H20F3NO2/c1-26-19(9-10-19)16-7-5-14(6-8-16)13-24-18(25)12-15-3-2-4-17(11-15)20(21,22)23/h2-8,11H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyBGUUOEMSAOXSIX-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.20
Rot. Bonds6

About N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 69342110) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID69342110
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOC1(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C20H20F3NO2/c1-26-19(9-10-19)16-7-5-14(6-8-16)13-24-18(25)12-15-3-2-4-17(11-15)20(21,22)23/h2-8,11H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyBGUUOEMSAOXSIX-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide 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-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 69342110) is N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is COC1(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BGUUOEMSAOXSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-26-19(9-10-19)16-7-5-14(6-8-16)13-24-18(25)12-15-3-2-4-17(11-15)20(21,22)23/h2-8,11H,9-10,12-13H2,1H3,(H,24,25).
What are the key properties of N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 69342110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).