3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide

C10H9F4NO2 — CID 23596826

IUPAC3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO2/c1-15(17-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,1-2H3
InChIKeyRHXUBWXFURXOLB-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.48
Rot. Bonds2

About 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide

3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 23596826) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID23596826
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO2/c1-15(17-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,1-2H3
InChIKeyRHXUBWXFURXOLB-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide (CID 23596826) is 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide is CON(C)C(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is RHXUBWXFURXOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-15(17-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,1-2H3.
What are the key properties of 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide?
3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 251.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 23596826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).