2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide

C13H18FNO3 — CID 140597226

IUPAC2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide
SMILESCOCCOCc1ccc(C(C)C(N)=O)cc1F
InChIInChI=1S/C13H18FNO3/c1-9(13(15)16)10-3-4-11(12(14)7-10)8-18-6-5-17-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyNDLFHKJQOBVMNS-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.58
Rot. Bonds7

About 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide

2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide (PubChem CID 140597226) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide
PubChem CID140597226
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide
SMILESCOCCOCc1ccc(C(C)C(N)=O)cc1F
InChIInChI=1S/C13H18FNO3/c1-9(13(15)16)10-3-4-11(12(14)7-10)8-18-6-5-17-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyNDLFHKJQOBVMNS-UHFFFAOYSA-N
XLogP1.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.58
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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Related Compounds

2-Fluoro-4-(5-pentyl-1,4-dioxan-2-yl)benzamide
CID 20133162
2-Fluoro-4-(5-pentyloxan-2-yl)benzamide
CID 21248110
2-fluoro-4-[(2R,5S)-5-pentyl-1,4-dioxan-2-yl]benzamide
CID 54022470
2-Fluoro-4-(4-pentyloxan-2-yl)benzamide
CID 57189797
Tert-butyl 4-(2-amino-1-fluoro-2-oxoethyl)benzoate
CID 57541226
Methyl 4-(2-amino-1-fluoro-2-oxoethyl)benzoate
CID 58890005
4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-methylbutanamide
CID 59568775
(2R)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
CID 59568788
(S)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-N-hydroxyhexanamide
CID 59568803
4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide
CID 59568817
(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
CID 59568831
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxypent-4-enamide
CID 59568851

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide (CID 140597226) is 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide is COCCOCc1ccc(C(C)C(N)=O)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide?
The InChIKey is NDLFHKJQOBVMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(13(15)16)10-3-4-11(12(14)7-10)8-18-6-5-17-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16).
What are the key properties of 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide?
2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide has a molecular weight of 255.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 140597226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).