4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide

C12H11BrClNO — CID 115703314

IUPAC4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
SMILESO=C(NC1CC=CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H11BrClNO/c13-10-6-5-8(7-11(10)14)12(16)15-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H,15,16)
InChIKeyWCNHAWOQIYSSHS-UHFFFAOYSA-N
MW300.58 g/mol
LogP3.55
Rot. Bonds2

About 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide

4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide (PubChem CID 115703314) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
PubChem CID115703314
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
SMILESO=C(NC1CC=CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H11BrClNO/c13-10-6-5-8(7-11(10)14)12(16)15-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H,15,16)
InChIKeyWCNHAWOQIYSSHS-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide 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

4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
CID 81295465
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
N-cyclopent-3-en-1-yl-4-hydroxy-3-methylbenzamide
CID 103957515
4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 81307054

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide (CID 115703314) is 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide is O=C(NC1CC=CC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide?
The InChIKey is WCNHAWOQIYSSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c13-10-6-5-8(7-11(10)14)12(16)15-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H,15,16).
What are the key properties of 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide?
4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide has a molecular weight of 300.58 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide is sourced from PubChem (CID 115703314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).