N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide

C11H13BrFNO2 — CID 115661464

IUPACN-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-2-16-6-5-11(15)14-8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyYYBLMWGONMYVJF-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.95
Rot. Bonds5

About N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide

N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide (PubChem CID 115661464) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
PubChem CID115661464
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-2-16-6-5-11(15)14-8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyYYBLMWGONMYVJF-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide
CID 104778142
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
2-bromo-5-(4-ethoxybutanoylamino)benzoic acid
CID 113281018
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
4-(3-bromo-4-fluoroanilino)-2,2-diethyl-4-oxobutanoic acid
CID 115663074

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide (CID 115661464) is N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide is CCOCCC(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide?
The InChIKey is YYBLMWGONMYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-2-16-6-5-11(15)14-8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide?
N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide has a molecular weight of 290.13 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide is sourced from PubChem (CID 115661464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).