N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide

C11H8BrCl2NO2 — CID 88700138

IUPACN-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide
SMILESO=C(C=C(Cl)Cl)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C11H8BrCl2NO2/c12-8-3-1-2-4-9(8)15-11(17)6-7(16)5-10(13)14/h1-5H,6H2,(H,15,17)
InChIKeyLUVIKZWYZDZNMC-UHFFFAOYSA-N
MW337.00 g/mol
LogP3.67
Rot. Bonds4

About N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide

N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide (PubChem CID 88700138) has the molecular formula C11H8BrCl2NO2 and a molecular weight of 337.00 g/mol. Its IUPAC name is N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide
PubChem CID88700138
Molecular FormulaC11H8BrCl2NO2
Molecular Weight337.00 g/mol
Exact Mass334.91
IUPAC NameN-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide
SMILESO=C(C=C(Cl)Cl)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C11H8BrCl2NO2/c12-8-3-1-2-4-9(8)15-11(17)6-7(16)5-10(13)14/h1-5H,6H2,(H,15,17)
InChIKeyLUVIKZWYZDZNMC-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-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,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N-(2-bromophenyl)butanamide
CID 732405
5-(2-bromoanilino)-5-oxopentanoate
CID 6939173
[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
CID 2414095
N-(2-bromophenyl)-2-isocyanoacetamide
CID 108814850
4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
N'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182
(2-bromophenyl)carbamic acid
CID 15021878

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide?
The IUPAC name of N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide (CID 88700138) is N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide.
What is the SMILES notation for N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide?
The canonical SMILES for N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide is O=C(C=C(Cl)Cl)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide?
The InChIKey is LUVIKZWYZDZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO2/c12-8-3-1-2-4-9(8)15-11(17)6-7(16)5-10(13)14/h1-5H,6H2,(H,15,17).
What are the key properties of N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide?
N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide has a molecular weight of 337.00 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5,5-dichloro-3-oxopent-4-enamide is sourced from PubChem (CID 88700138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).