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

C20H20F3NO2 — CID 69342111

IUPAC3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC1(c2ccc(CC(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C20H20F3NO2/c1-26-19(9-10-19)15-7-5-13(6-8-15)11-17(18(24)25)14-3-2-4-16(12-14)20(21,22)23/h2-8,12,17H,9-11H2,1H3,(H2,24,25)
InChIKeyUBZYZRXGZPSPIZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.15
Rot. Bonds6

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

3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 69342111) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID69342111
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC1(c2ccc(CC(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C20H20F3NO2/c1-26-19(9-10-19)15-7-5-13(6-8-15)11-17(18(24)25)14-3-2-4-16(12-14)20(21,22)23/h2-8,12,17H,9-11H2,1H3,(H2,24,25)
InChIKeyUBZYZRXGZPSPIZ-UHFFFAOYSA-N
XLogP4.15
TPSA52.32 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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 54584001
CID 54584001
CID 21024131
CID 21024131
CID 97790872
CID 97790872
CID 15941653
CID 15941653
CID 15941659
CID 15941659
CID 15942070
CID 15942070
CID 15942202
CID 15942202
CID 67717514
CID 67717514
CID 69067345
CID 69067345
CID 69342110
CID 69342110
CID 69342869
CID 69342869
CID 69343095
CID 69343095

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 69342111) is 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is COC1(c2ccc(CC(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UBZYZRXGZPSPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-26-19(9-10-19)15-7-5-13(6-8-15)11-17(18(24)25)14-3-2-4-16(12-14)20(21,22)23/h2-8,12,17H,9-11H2,1H3,(H2,24,25).
What are the key properties of 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 363.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 69342111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).