(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide

C10H9BrClNO — CID 81027410

IUPAC(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClNO/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11/h2-6H,1H3,(H,13,14)/b3-2+
InChIKeyVCZZVFBMQLLUSP-NSCUHMNNSA-N
MW274.55 g/mol
LogP3.62
Rot. Bonds2

About (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide

(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide (PubChem CID 81027410) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
PubChem CID81027410
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC Name(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClNO/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11/h2-6H,1H3,(H,13,14)/b3-2+
InChIKeyVCZZVFBMQLLUSP-NSCUHMNNSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(2-bromo-4-chlorophenyl)but-2-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-(5-bromo-2-chlorophenyl)but-2-enamide
CID 76977308
(2-bromo-4-chlorophenyl)urea
CID 81003362
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225
N-(2-chloro-4-hydroxyphenyl)but-2-enamide
CID 77042642
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
4-(but-2-enoylamino)-3-chlorobenzoic acid
CID 77034162
3-bromo-4-(hexa-2,4-dienoylamino)benzoic acid
CID 77034280
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
(E)-1-(2-bromo-4-chlorophenyl)pent-3-en-2-one
CID 56930692
(E)-N-(5-bromo-2-methylphenyl)but-2-enamide
CID 43806497

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide (CID 81027410) is (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide is C/C=C/C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide?
The InChIKey is VCZZVFBMQLLUSP-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11/h2-6H,1H3,(H,13,14)/b3-2+.
What are the key properties of (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide?
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide has a molecular weight of 274.55 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-4-chlorophenyl)but-2-enamide is sourced from PubChem (CID 81027410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).