2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C28H26F3NO3 — CID 86291811

IUPAC2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C28H26F3NO3/c1-19(32-35-17-20-6-12-25(13-7-20)28(29,30)31)21-10-14-26(15-11-21)34-18-27(33)24-9-8-22-4-2-3-5-23(22)16-24/h6-16H,2-5,17-18H2,1H3/b32-19+
InChIKeyFOZBJJRSWBQHFG-BIZUNTBRSA-N
MW481.51 g/mol
LogP6.79
Rot. Bonds8

About 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 86291811) has the molecular formula C28H26F3NO3 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID86291811
Molecular FormulaC28H26F3NO3
Molecular Weight481.51 g/mol
Exact Mass481.19
IUPAC Name2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C28H26F3NO3/c1-19(32-35-17-20-6-12-25(13-7-20)28(29,30)31)21-10-14-26(15-11-21)34-18-27(33)24-9-8-22-4-2-3-5-23(22)16-24/h6-16H,2-5,17-18H2,1H3/b32-19+
InChIKeyFOZBJJRSWBQHFG-BIZUNTBRSA-N
XLogP6.79
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone 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 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 86291811) is 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is FOZBJJRSWBQHFG-BIZUNTBRSA-N. The full InChI is InChI=1S/C28H26F3NO3/c1-19(32-35-17-20-6-12-25(13-7-20)28(29,30)31)21-10-14-26(15-11-21)34-18-27(33)24-9-8-22-4-2-3-5-23(22)16-24/h6-16H,2-5,17-18H2,1H3/b32-19+.
What are the key properties of 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 481.51 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 86291811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).