2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide

C13H19FN2O2 — CID 43087306

IUPAC2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9-4-5-11(8-12(9)14)16-10(2)13(17)15-6-7-18-3/h4-5,8,10,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyYPLIWUZFZVYUPQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.70
Rot. Bonds6

About 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide

2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 43087306) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID43087306
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9-4-5-11(8-12(9)14)16-10(2)13(17)15-6-7-18-3/h4-5,8,10,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyYPLIWUZFZVYUPQ-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
CID 115573855
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
2-(4-fluoro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 55118922

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide (CID 43087306) is 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is YPLIWUZFZVYUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-4-5-11(8-12(9)14)16-10(2)13(17)15-6-7-18-3/h4-5,8,10,16H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide?
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 254.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43087306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).