2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide

C23H26F3NO3 — CID 171801997

IUPAC2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide
SMILESCOc1ccc(COc2c(F)cc(C(=O)NCC3CCC(C)CC3)c(F)c2F)cc1
InChIInChI=1S/C23H26F3NO3/c1-14-3-5-15(6-4-14)12-27-23(28)18-11-19(24)22(21(26)20(18)25)30-13-16-7-9-17(29-2)10-8-16/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,27,28)
InChIKeyQOLCVAMCJAZAFD-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.25
Rot. Bonds7

About 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide

2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide (PubChem CID 171801997) has the molecular formula C23H26F3NO3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide
PubChem CID171801997
Molecular FormulaC23H26F3NO3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide
SMILESCOc1ccc(COc2c(F)cc(C(=O)NCC3CCC(C)CC3)c(F)c2F)cc1
InChIInChI=1S/C23H26F3NO3/c1-14-3-5-15(6-4-14)12-27-23(28)18-11-19(24)22(21(26)20(18)25)30-13-16-7-9-17(29-2)10-8-16/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,27,28)
InChIKeyQOLCVAMCJAZAFD-UHFFFAOYSA-N
XLogP5.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide (CID 171801997) is 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide is COc1ccc(COc2c(F)cc(C(=O)NCC3CCC(C)CC3)c(F)c2F)cc1.
What is the InChIKey of 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide?
The InChIKey is QOLCVAMCJAZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO3/c1-14-3-5-15(6-4-14)12-27-23(28)18-11-19(24)22(21(26)20(18)25)30-13-16-7-9-17(29-2)10-8-16/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,27,28).
What are the key properties of 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide?
2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 171801997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).