2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide

C11H11F4NO3 — CID 80712032

IUPAC2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
SMILESCOCCONC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H11F4NO3/c1-18-4-5-19-16-10(17)8-6-7(11(13,14)15)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyYXAFHJDBKOCWKP-UHFFFAOYSA-N
MW281.21 g/mol
LogP2.15
Rot. Bonds5

About 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide

2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide (PubChem CID 80712032) has the molecular formula C11H11F4NO3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
PubChem CID80712032
Molecular FormulaC11H11F4NO3
Molecular Weight281.21 g/mol
Exact Mass281.07
IUPAC Name2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
SMILESCOCCONC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H11F4NO3/c1-18-4-5-19-16-10(17)8-6-7(11(13,14)15)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyYXAFHJDBKOCWKP-UHFFFAOYSA-N
XLogP2.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
CID 112551178
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 106183145
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
CID 82722467
N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79673463
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide (CID 80712032) is 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide is COCCONC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is YXAFHJDBKOCWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3/c1-18-4-5-19-16-10(17)8-6-7(11(13,14)15)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 281.21 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 80712032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).