2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C16H17FN2O2 — CID 28801945

IUPAC2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)COc1ccccc1N
InChIInChI=1S/C16H17FN2O2/c1-19(10-12-5-4-6-13(17)9-12)16(20)11-21-15-8-3-2-7-14(15)18/h2-9H,10-11,18H2,1H3
InChIKeyWTFKRSAAIJJIPF-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 28801945) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID28801945
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)COc1ccccc1N
InChIInChI=1S/C16H17FN2O2/c1-19(10-12-5-4-6-13(17)9-12)16(20)11-21-15-8-3-2-7-14(15)18/h2-9H,10-11,18H2,1H3
InChIKeyWTFKRSAAIJJIPF-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78765534
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693890
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86920381
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319175
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 42989440

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 28801945) is 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(F)c1)C(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is WTFKRSAAIJJIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(10-12-5-4-6-13(17)9-12)16(20)11-21-15-8-3-2-7-14(15)18/h2-9H,10-11,18H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 288.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 28801945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).