3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

C18H18F3NO4 — CID 30350054

IUPAC3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO4/c1-24-15-8-12(9-16(11-15)25-2)17(23)22-6-7-26-14-5-3-4-13(10-14)18(19,20)21/h3-5,8-11H,6-7H2,1-2H3,(H,22,23)
InChIKeyVSSFJTZQCAZHQZ-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.53
Rot. Bonds7

About 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (PubChem CID 30350054) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
PubChem CID30350054
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO4/c1-24-15-8-12(9-16(11-15)25-2)17(23)22-6-7-26-14-5-3-4-13(10-14)18(19,20)21/h3-5,8-11H,6-7H2,1-2H3,(H,22,23)
InChIKeyVSSFJTZQCAZHQZ-UHFFFAOYSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (CID 30350054) is 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The InChIKey is VSSFJTZQCAZHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-24-15-8-12(9-16(11-15)25-2)17(23)22-6-7-26-14-5-3-4-13(10-14)18(19,20)21/h3-5,8-11H,6-7H2,1-2H3,(H,22,23).
What are the key properties of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is sourced from PubChem (CID 30350054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).