3-[(3,4-difluorophenyl)methoxy]butanamide

C11H13F2NO2 — CID 91805047

IUPAC3-[(3,4-difluorophenyl)methoxy]butanamide
SMILESCC(CC(N)=O)OCc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-7(4-11(14)15)16-6-8-2-3-9(12)10(13)5-8/h2-3,5,7H,4,6H2,1H3,(H2,14,15)
InChIKeyFQIZTKKWFNKNHI-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.75
Rot. Bonds5

About 3-[(3,4-difluorophenyl)methoxy]butanamide

3-[(3,4-difluorophenyl)methoxy]butanamide (PubChem CID 91805047) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methoxy]butanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methoxy]butanamide
PubChem CID91805047
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-[(3,4-difluorophenyl)methoxy]butanamide
SMILESCC(CC(N)=O)OCc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-7(4-11(14)15)16-6-8-2-3-9(12)10(13)5-8/h2-3,5,7H,4,6H2,1H3,(H2,14,15)
InChIKeyFQIZTKKWFNKNHI-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 344960
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(2R)-2-methyl-3-phenylmethoxypropanamide
CID 11148237
(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide
CID 55266156
2-[2-(2,4-Difluorophenyl)oxiran-2-yl]-2-fluoropropanamide
CID 19973080
2-[2-(2,4-Difluorophenyl)oxiran-2-yl]-2-fluoroacetamide
CID 19973093
N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 20571153
4,4,4-Trifluoro-3-phenylmethoxybutan-1-amine
CID 43753253
N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 54055046
2-Fluoro-3-methoxy-3-phenylbutanamide
CID 57021177
3-[(3,4-Difluorophenyl)methoxy]hex-5-enal
CID 57827766

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methoxy]butanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)methoxy]butanamide (CID 91805047) is 3-[(3,4-difluorophenyl)methoxy]butanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methoxy]butanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)methoxy]butanamide is CC(CC(N)=O)OCc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methoxy]butanamide?
The InChIKey is FQIZTKKWFNKNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7(4-11(14)15)16-6-8-2-3-9(12)10(13)5-8/h2-3,5,7H,4,6H2,1H3,(H2,14,15).
What are the key properties of 3-[(3,4-difluorophenyl)methoxy]butanamide?
3-[(3,4-difluorophenyl)methoxy]butanamide has a molecular weight of 229.23 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methoxy]butanamide is sourced from PubChem (CID 91805047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).