2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide

C13H18FNO3 — CID 110766984

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-17-7-3-6-15-13(16)9-10-4-5-12(18-2)11(14)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyJDRWXYCHMPKIGF-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.53
Rot. Bonds7

About 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide

2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide (PubChem CID 110766984) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
PubChem CID110766984
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-17-7-3-6-15-13(16)9-10-4-5-12(18-2)11(14)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyJDRWXYCHMPKIGF-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 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 ≤ 51.53
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-(3-fluoro-4-methoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60682387
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103800898
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
2-[2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242624
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide (CID 110766984) is 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is JDRWXYCHMPKIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-17-7-3-6-15-13(16)9-10-4-5-12(18-2)11(14)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 255.29 g/mol, XLogP of 1.53, 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-methoxyphenyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110766984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).