2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide

C12H17FN2O2 — CID 114254580

IUPAC2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cccc(C)c1F
InChIInChI=1S/C12H17FN2O2/c1-9-4-3-5-10(12(9)13)15-8-11(16)14-6-7-17-2/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyTVBJOPUOBYSHSJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.31
Rot. Bonds6

About 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide

2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 114254580) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID114254580
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cccc(C)c1F
InChIInChI=1S/C12H17FN2O2/c1-9-4-3-5-10(12(9)13)15-8-11(16)14-6-7-17-2/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyTVBJOPUOBYSHSJ-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide
CID 145260622
2-(3-bromo-2-carbamothioylanilino)-N-(2-methoxyethyl)acetamide
CID 114882671
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301433
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide (CID 114254580) is 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cccc(C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is TVBJOPUOBYSHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9-4-3-5-10(12(9)13)15-8-11(16)14-6-7-17-2/h3-5,15H,6-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide?
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114254580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).