2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide

C12H16BrFN2O2 — CID 65437332

IUPAC2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O2/c1-8(12(17)15-5-6-18-2)16-9-3-4-10(13)11(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyRVRBFVQKEOAWBS-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.15
Rot. Bonds6

About 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide

2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 65437332) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
PubChem CID65437332
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O2/c1-8(12(17)15-5-6-18-2)16-9-3-4-10(13)11(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyRVRBFVQKEOAWBS-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.15
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-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
CID 115573855
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide (CID 65437332) is 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is RVRBFVQKEOAWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-8(12(17)15-5-6-18-2)16-9-3-4-10(13)11(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide?
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 319.17 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 65437332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).