4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide

C17H15F4NO3 — CID 2671973

IUPAC4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NO3/c1-24-8-9-25-15-7-4-12(17(19,20)21)10-14(15)22-16(23)11-2-5-13(18)6-3-11/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyPFYLAZUAUBBSCJ-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.12
Rot. Bonds6

About 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2671973) has the molecular formula C17H15F4NO3 and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2671973
Molecular FormulaC17H15F4NO3
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC Name4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NO3/c1-24-8-9-25-15-7-4-12(17(19,20)21)10-14(15)22-16(23)11-2-5-13(18)6-3-11/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyPFYLAZUAUBBSCJ-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide (CID 2671973) is 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PFYLAZUAUBBSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3/c1-24-8-9-25-15-7-4-12(17(19,20)21)10-14(15)22-16(23)11-2-5-13(18)6-3-11/h2-7,10H,8-9H2,1H3,(H,22,23).
What are the key properties of 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 357.30 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2671973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).