2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide

C16H17FN2O2 — CID 63692768

IUPAC2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(N)cc(C)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-10-7-13(18)8-11(2)16(10)21-9-15(20)19-14-5-3-12(17)4-6-14/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyWAXASUJTIBRAJS-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide

2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 63692768) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID63692768
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(N)cc(C)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-10-7-13(18)8-11(2)16(10)21-9-15(20)19-14-5-3-12(17)4-6-14/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyWAXASUJTIBRAJS-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
1-[[2-(4-chloro-2,6-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469661
N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913369
N-(4-tert-butylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7913902
N-(4-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 877304
2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
N-[4-(dimethylamino)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978164
[2-(4-fluoroanilino)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472999
2-(2-amino-4,5-dichlorophenoxy)-N-(4-fluorophenyl)acetamide
CID 107498887
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 3976698

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide (CID 63692768) is 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide is Cc1cc(N)cc(C)c1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is WAXASUJTIBRAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-7-13(18)8-11(2)16(10)21-9-15(20)19-14-5-3-12(17)4-6-14/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 63692768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).