2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide

C12H15BrClFN2O2 — CID 107611396

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2/c1-7(12(18)16-3-4-19-2)17-11-9(13)5-8(15)6-10(11)14/h5-7,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyYSQHECVIUVEPFH-UHFFFAOYSA-N
MW353.62 g/mol
LogP2.80
Rot. Bonds6

About 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 107611396) has the molecular formula C12H15BrClFN2O2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
PubChem CID107611396
Molecular FormulaC12H15BrClFN2O2
Molecular Weight353.62 g/mol
Exact Mass352.00
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2/c1-7(12(18)16-3-4-19-2)17-11-9(13)5-8(15)6-10(11)14/h5-7,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyYSQHECVIUVEPFH-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-6-chloro-4-fluoroanilino)-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-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 103579856
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide (CID 107611396) is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is YSQHECVIUVEPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O2/c1-7(12(18)16-3-4-19-2)17-11-9(13)5-8(15)6-10(11)14/h5-7,17H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide?
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 353.62 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 107611396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).