3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide

C12H15F2NO3 — CID 79676471

IUPAC3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3/c1-17-6-7-18-15-12(16)5-3-9-2-4-10(13)11(14)8-9/h2,4,8H,3,5-7H2,1H3,(H,15,16)
InChIKeyGRPYTXUSFILZHI-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.59
Rot. Bonds7

About 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide

3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide (PubChem CID 79676471) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
PubChem CID79676471
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3/c1-17-6-7-18-15-12(16)5-3-9-2-4-10(13)11(14)8-9/h2,4,8H,3,5-7H2,1H3,(H,15,16)
InChIKeyGRPYTXUSFILZHI-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676858
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 46686812
butyl 3-(3,4-difluorophenyl)propanoate
CID 112727101
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
3-(2-hydroxyphenyl)-N-(2-methoxyethoxy)propanamide
CID 79675926
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide (CID 79676471) is 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide is COCCONC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide?
The InChIKey is GRPYTXUSFILZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-17-6-7-18-15-12(16)5-3-9-2-4-10(13)11(14)8-9/h2,4,8H,3,5-7H2,1H3,(H,15,16).
What are the key properties of 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide?
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide has a molecular weight of 259.25 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 79676471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).