3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide

C11H12FNO3 — CID 107697303

IUPAC3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(F)cc1C=O
InChIInChI=1S/C11H12FNO3/c1-13-11(15)4-5-16-10-3-2-9(12)6-8(10)7-14/h2-3,6-7H,4-5H2,1H3,(H,13,15)
InChIKeyXLMSKJKNMGWWQB-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.15
Rot. Bonds5

About 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide

3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide (PubChem CID 107697303) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
PubChem CID107697303
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(F)cc1C=O
InChIInChI=1S/C11H12FNO3/c1-13-11(15)4-5-16-10-3-2-9(12)6-8(10)7-14/h2-3,6-7H,4-5H2,1H3,(H,13,15)
InChIKeyXLMSKJKNMGWWQB-UHFFFAOYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluoro-2-formylphenoxy)propanoic acid
CID 107697641
5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910105
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
CID 107700545
4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
CID 82915136
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 55204374
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide?
The IUPAC name of 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide (CID 107697303) is 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide is CNC(=O)CCOc1ccc(F)cc1C=O.
What is the InChIKey of 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide?
The InChIKey is XLMSKJKNMGWWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-13-11(15)4-5-16-10-3-2-9(12)6-8(10)7-14/h2-3,6-7H,4-5H2,1H3,(H,13,15).
What are the key properties of 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide?
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide has a molecular weight of 225.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 107697303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).