2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide

C16H17FN2O2 — CID 114415878

IUPAC2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C)c(F)cc1N
InChIInChI=1S/C16H17FN2O2/c1-10-5-3-4-6-14(10)19-16(20)9-21-15-7-11(2)13(18)8-12(15)17/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyVAQCOSHBGMSUCI-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide

2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide (PubChem CID 114415878) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
PubChem CID114415878
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C)c(F)cc1N
InChIInChI=1S/C16H17FN2O2/c1-10-5-3-4-6-14(10)19-16(20)9-21-15-7-11(2)13(18)8-12(15)17/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyVAQCOSHBGMSUCI-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-(4-amino-2,5-difluorophenoxy)-N-(2-methylphenyl)acetamide
CID 63598465
2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide
CID 114415725
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(4-amino-2,5-difluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 63598292
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 107698413
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4650894
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 80964387
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide (CID 114415878) is 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide is Cc1cc(OCC(=O)Nc2ccccc2C)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide?
The InChIKey is VAQCOSHBGMSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-5-3-4-6-14(10)19-16(20)9-21-15-7-11(2)13(18)8-12(15)17/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide?
2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)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-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 114415878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).