N-(3,5-dibromophenyl)-3-methylbut-2-enamide

C11H11Br2NO — CID 164647677

IUPACN-(3,5-dibromophenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H11Br2NO/c1-7(2)3-11(15)14-10-5-8(12)4-9(13)6-10/h3-6H,1-2H3,(H,14,15)
InChIKeyWCIGPRJHTGWLGM-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.12
Rot. Bonds2

About N-(3,5-dibromophenyl)-3-methylbut-2-enamide

N-(3,5-dibromophenyl)-3-methylbut-2-enamide (PubChem CID 164647677) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is N-(3,5-dibromophenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3,5-dibromophenyl)-3-methylbut-2-enamide
PubChem CID164647677
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC NameN-(3,5-dibromophenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H11Br2NO/c1-7(2)3-11(15)14-10-5-8(12)4-9(13)6-10/h3-6H,1-2H3,(H,14,15)
InChIKeyWCIGPRJHTGWLGM-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.12
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-(3-bromophenyl)-3-methoxybut-2-enamide
CID 54535073
(E)-3-(4-bromoanilino)-N-(4-bromophenyl)but-2-enamide
CID 134835204
3-methyl-N-[4-(methylcarbamoylamino)phenyl]but-2-enamide
CID 47144064
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388
N-(3-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 19177488
N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
CID 43134331
N-(2-bromo-4-tert-butylphenyl)-3-methylbut-2-enamide
CID 53268058
3-methyl-N-(1-methylpyrazol-4-yl)but-2-enamide
CID 130157202
diethyl (E)-2-(3,5-dibromoanilino)but-2-enedioate
CID 50852714
N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide
CID 130834673
N-(2-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 30734863
N-(2-chloro-5-methylphenyl)-3-methylbut-2-enamide
CID 130162808

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromophenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3,5-dibromophenyl)-3-methylbut-2-enamide (CID 164647677) is N-(3,5-dibromophenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3,5-dibromophenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3,5-dibromophenyl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of N-(3,5-dibromophenyl)-3-methylbut-2-enamide?
The InChIKey is WCIGPRJHTGWLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c1-7(2)3-11(15)14-10-5-8(12)4-9(13)6-10/h3-6H,1-2H3,(H,14,15).
What are the key properties of N-(3,5-dibromophenyl)-3-methylbut-2-enamide?
N-(3,5-dibromophenyl)-3-methylbut-2-enamide has a molecular weight of 333.02 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromophenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 164647677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).