2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C16H17FN2O2 — CID 10085503

IUPAC2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H17FN2O2/c1-19(10-12-2-4-13(17)5-3-12)16(20)11-21-15-8-6-14(18)7-9-15/h2-9H,10-11,18H2,1H3
InChIKeyAKKFPUSHHKIESA-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.45
Rot. Bonds5

About 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 10085503) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID10085503
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H17FN2O2/c1-19(10-12-2-4-13(17)5-3-12)16(20)11-21-15-8-6-14(18)7-9-15/h2-9H,10-11,18H2,1H3
InChIKeyAKKFPUSHHKIESA-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037064
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112792570
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 10085503) is 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is AKKFPUSHHKIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(10-12-2-4-13(17)5-3-12)16(20)11-21-15-8-6-14(18)7-9-15/h2-9H,10-11,18H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(4-aminophenoxy)-N-[(4-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-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 10085503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).