2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide

C20H20F3NO4 — CID 166186485

IUPAC2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1OC
InChIInChI=1S/C20H20F3NO4/c1-26-15-11-17(28-3)16(27-2)10-14(15)18(25)24-19(7-8-19)12-5-4-6-13(9-12)20(21,22)23/h4-6,9-11H,7-8H2,1-3H3,(H,24,25)
InChIKeyPUAPGDKPAACGTF-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.15
Rot. Bonds6

About 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide

2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide (PubChem CID 166186485) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
PubChem CID166186485
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1OC
InChIInChI=1S/C20H20F3NO4/c1-26-15-11-17(28-3)16(27-2)10-14(15)18(25)24-19(7-8-19)12-5-4-6-13(9-12)20(21,22)23/h4-6,9-11H,7-8H2,1-3H3,(H,24,25)
InChIKeyPUAPGDKPAACGTF-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 120636519
N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
methyl N-[3-oxo-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]amino]propyl]carbamate
CID 71998913
methyl 4-[1-[[2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]benzoyl]amino]cyclopropyl]benzoate
CID 157022013
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
4-[[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]carbamoylamino]methyl]benzoic acid
CID 122019974
tert-butyl N-[(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]carbamoylamino]propyl]carbamate
CID 155950210
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide (CID 166186485) is 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide is COc1cc(OC)c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
The InChIKey is PUAPGDKPAACGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-26-15-11-17(28-3)16(27-2)10-14(15)18(25)24-19(7-8-19)12-5-4-6-13(9-12)20(21,22)23/h4-6,9-11H,7-8H2,1-3H3,(H,24,25).
What are the key properties of 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide?
2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide has a molecular weight of 395.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide is sourced from PubChem (CID 166186485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).