3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide

C15H12F3NO2 — CID 113099201

IUPAC3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NO2/c16-11-6-5-10(9-13(11)18)15(20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyHXEQVSJYFSPIFM-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.91
Rot. Bonds5

About 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide

3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide (PubChem CID 113099201) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
PubChem CID113099201
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NO2/c16-11-6-5-10(9-13(11)18)15(20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyHXEQVSJYFSPIFM-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.91
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

N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
3,4-difluoro-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]benzamide
CID 87640488
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
N-[2-(2-fluorophenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 4963716
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide (CID 113099201) is 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide is O=C(NCCOc1ccccc1F)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The InChIKey is HXEQVSJYFSPIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-11-6-5-10(9-13(11)18)15(20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide is sourced from PubChem (CID 113099201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).