N-(4-bromophenyl)-3-methylbut-3-enamide

C11H12BrNO — CID 68925920

IUPACN-(4-bromophenyl)-3-methylbut-3-enamide
SMILESC=C(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyDLUHLJCYXWBTDZ-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.35
Rot. Bonds3

About N-(4-bromophenyl)-3-methylbut-3-enamide

N-(4-bromophenyl)-3-methylbut-3-enamide (PubChem CID 68925920) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-methylbut-3-enamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-methylbut-3-enamide
PubChem CID68925920
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-(4-bromophenyl)-3-methylbut-3-enamide
SMILESC=C(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyDLUHLJCYXWBTDZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-3-methylbut-3-enamide 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

N'-(4-bromophenyl)propanediamide
CID 15154636
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
[3-(4-bromoanilino)-3-oxopropyl]-ethyl-(2-methylprop-2-enyl)azanium
CID 7027947
[2-(4-bromoanilino)-2-oxoethyl]azanium
CID 4745313
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
1-(4-bromophenyl)-3-methylbut-3-en-1-one
CID 79177133
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
N-(4-bromophenyl)-3-oxopropanamide
CID 175023149
2-(4-bromoanilino)-2-oxoethanesulfinic acid
CID 175057456
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-methylbut-3-enamide?
The IUPAC name of N-(4-bromophenyl)-3-methylbut-3-enamide (CID 68925920) is N-(4-bromophenyl)-3-methylbut-3-enamide.
What is the SMILES notation for N-(4-bromophenyl)-3-methylbut-3-enamide?
The canonical SMILES for N-(4-bromophenyl)-3-methylbut-3-enamide is C=C(C)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-methylbut-3-enamide?
The InChIKey is DLUHLJCYXWBTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-6H,1,7H2,2H3,(H,13,14).
What are the key properties of N-(4-bromophenyl)-3-methylbut-3-enamide?
N-(4-bromophenyl)-3-methylbut-3-enamide has a molecular weight of 254.13 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-methylbut-3-enamide is sourced from PubChem (CID 68925920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).