N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide

C17H16F3NO4 — CID 27823943

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO4/c1-23-14-4-2-3-5-15(14)24-11-10-21-16(22)12-6-8-13(9-7-12)25-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyNEWMHVQURFFEDB-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide

N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 27823943) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID27823943
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO4/c1-23-14-4-2-3-5-15(14)24-11-10-21-16(22)12-6-8-13(9-7-12)25-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyNEWMHVQURFFEDB-UHFFFAOYSA-N
XLogP3.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.40
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

N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27823905
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 142629544
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 175009727
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide (CID 27823943) is N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide is COc1ccccc1OCCNC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NEWMHVQURFFEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-23-14-4-2-3-5-15(14)24-11-10-21-16(22)12-6-8-13(9-7-12)25-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 355.31 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 27823943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).