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

C18H17BrF3NO4 — CID 55803408

IUPAC4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc(OC)c1Br
InChIInChI=1S/C18H17BrF3NO4/c1-25-14-8-11(9-15(26-2)16(14)19)17(24)23-6-7-27-13-5-3-4-12(10-13)18(20,21)22/h3-5,8-10H,6-7H2,1-2H3,(H,23,24)
InChIKeyFQOFNOLSSBIDEM-UHFFFAOYSA-N
MW448.24 g/mol
LogP4.29
Rot. Bonds7

About 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (PubChem CID 55803408) has the molecular formula C18H17BrF3NO4 and a molecular weight of 448.24 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
PubChem CID55803408
Molecular FormulaC18H17BrF3NO4
Molecular Weight448.24 g/mol
Exact Mass447.03
IUPAC Name4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc(OC)c1Br
InChIInChI=1S/C18H17BrF3NO4/c1-25-14-8-11(9-15(26-2)16(14)19)17(24)23-6-7-27-13-5-3-4-12(10-13)18(20,21)22/h3-5,8-10H,6-7H2,1-2H3,(H,23,24)
InChIKeyFQOFNOLSSBIDEM-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.24
LogP ≤ 54.29
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

3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
(2S)-2-amino-3,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119736716
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
4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 55919848

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (CID 55803408) is 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is COc1cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The InChIKey is FQOFNOLSSBIDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF3NO4/c1-25-14-8-11(9-15(26-2)16(14)19)17(24)23-6-7-27-13-5-3-4-12(10-13)18(20,21)22/h3-5,8-10H,6-7H2,1-2H3,(H,23,24).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide has a molecular weight of 448.24 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is sourced from PubChem (CID 55803408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).