N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide

C12H14FNO3 — CID 107697615

IUPACN-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(F)cc1C=O
InChIInChI=1S/C12H14FNO3/c1-3-14(2)12(16)8-17-11-5-4-10(13)6-9(11)7-15/h4-7H,3,8H2,1-2H3
InChIKeyAMICEOOWLYQAPK-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide

N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide (PubChem CID 107697615) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
PubChem CID107697615
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC NameN-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(F)cc1C=O
InChIInChI=1S/C12H14FNO3/c1-3-14(2)12(16)8-17-11-5-4-10(13)6-9(11)7-15/h4-7H,3,8H2,1-2H3
InChIKeyAMICEOOWLYQAPK-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
CID 43307243
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
3-(4-fluoro-2-formylphenoxy)propanoic acid
CID 107697641
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
(E)-3-[5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 43309807
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide
CID 112689404
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787
2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
CID 107693152
2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide (CID 107697615) is N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide is CCN(C)C(=O)COc1ccc(F)cc1C=O.
What is the InChIKey of N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide?
The InChIKey is AMICEOOWLYQAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-3-14(2)12(16)8-17-11-5-4-10(13)6-9(11)7-15/h4-7H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide?
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide has a molecular weight of 239.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide is sourced from PubChem (CID 107697615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).