N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide

C11H11BrFNO — CID 43134331

IUPACN-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFNO/c1-7(2)5-11(15)14-10-4-3-8(13)6-9(10)12/h3-6H,1-2H3,(H,14,15)
InChIKeyNGXKRKZDHREYTK-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.49
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide

N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide (PubChem CID 43134331) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
PubChem CID43134331
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFNO/c1-7(2)5-11(15)14-10-4-3-8(13)6-9(10)12/h3-6H,1-2H3,(H,14,15)
InChIKeyNGXKRKZDHREYTK-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-tert-butylphenyl)-3-methylbut-2-enamide
CID 53268058
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
N-(2-bromo-4-nitrophenyl)-3-methylbut-2-enamide
CID 19177492
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
CID 74868716
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide (CID 43134331) is N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide?
The InChIKey is NGXKRKZDHREYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-7(2)5-11(15)14-10-4-3-8(13)6-9(10)12/h3-6H,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide?
N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide has a molecular weight of 272.12 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 43134331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).