2-fluoro-6-(4-phenoxybutyl)benzamide

C17H18FNO2 — CID 70727029

IUPAC2-fluoro-6-(4-phenoxybutyl)benzamide
SMILESNC(=O)c1c(F)cccc1CCCCOc1ccccc1
InChIInChI=1S/C17H18FNO2/c18-15-11-6-8-13(16(15)17(19)20)7-4-5-12-21-14-9-2-1-3-10-14/h1-3,6,8-11H,4-5,7,12H2,(H2,19,20)
InChIKeyFPARFKIFJJYYGN-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.33
Rot. Bonds7

About 2-fluoro-6-(4-phenoxybutyl)benzamide

2-fluoro-6-(4-phenoxybutyl)benzamide (PubChem CID 70727029) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-fluoro-6-(4-phenoxybutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-(4-phenoxybutyl)benzamide
PubChem CID70727029
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-fluoro-6-(4-phenoxybutyl)benzamide
SMILESNC(=O)c1c(F)cccc1CCCCOc1ccccc1
InChIInChI=1S/C17H18FNO2/c18-15-11-6-8-13(16(15)17(19)20)7-4-5-12-21-14-9-2-1-3-10-14/h1-3,6,8-11H,4-5,7,12H2,(H2,19,20)
InChIKeyFPARFKIFJJYYGN-UHFFFAOYSA-N
XLogP3.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-phenoxyheptyl)phenol
CID 141346388
2-fluoro-6-(3-phenoxypropoxy)benzenecarbothioamide
CID 62936444
2-(2-phenoxyethyl)benzamide
CID 68945309
methyl 2-fluoro-6-(phenoxymethyl)benzoate
CID 150404224
4-(4-phenylbutoxy)benzamide
CID 11963163
CID 161042703
CID 161042703
4-(5-phenylpentoxy)benzamide
CID 142267536
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
2-(4-phenoxybutoxy)acetamide
CID 122703944
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-phenoxybutyl)benzamide?
The IUPAC name of 2-fluoro-6-(4-phenoxybutyl)benzamide (CID 70727029) is 2-fluoro-6-(4-phenoxybutyl)benzamide.
What is the SMILES notation for 2-fluoro-6-(4-phenoxybutyl)benzamide?
The canonical SMILES for 2-fluoro-6-(4-phenoxybutyl)benzamide is NC(=O)c1c(F)cccc1CCCCOc1ccccc1.
What is the InChIKey of 2-fluoro-6-(4-phenoxybutyl)benzamide?
The InChIKey is FPARFKIFJJYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-11-6-8-13(16(15)17(19)20)7-4-5-12-21-14-9-2-1-3-10-14/h1-3,6,8-11H,4-5,7,12H2,(H2,19,20).
What are the key properties of 2-fluoro-6-(4-phenoxybutyl)benzamide?
2-fluoro-6-(4-phenoxybutyl)benzamide has a molecular weight of 287.33 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-phenoxybutyl)benzamide is sourced from PubChem (CID 70727029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).