2-bromo-N-cyclopentylidenebenzamide

C12H12BrNO — CID 141137115

IUPAC2-bromo-N-cyclopentylidenebenzamide
SMILESO=C(N=C1CCCC1)c1ccccc1Br
InChIInChI=1S/C12H12BrNO/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2
InChIKeyRNNMZWFVCGPFFG-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.60
Rot. Bonds1

About 2-bromo-N-cyclopentylidenebenzamide

2-bromo-N-cyclopentylidenebenzamide (PubChem CID 141137115) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-bromo-N-cyclopentylidenebenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentylidenebenzamide
PubChem CID141137115
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-bromo-N-cyclopentylidenebenzamide
SMILESO=C(N=C1CCCC1)c1ccccc1Br
InChIInChI=1S/C12H12BrNO/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2
InChIKeyRNNMZWFVCGPFFG-UHFFFAOYSA-N
XLogP3.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromo-N-cyclopentylidenebenzamide 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

S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
2-bromo-N-[(3-oxocyclohexylidene)amino]benzamide
CID 3943626
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
CID 155907008
2-bromobenzamide;hydrochloride
CID 68911907
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-(2-bromophenyl)-2-oxoacetic acid
CID 4241115
(1-aminocyclopentyl)-(2-bromophenyl)methanone
CID 82305027
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
methyl 2-(2-bromophenyl)-2-oxoacetate
CID 10890094
benzenecarbothioic S-acid;2-bromobenzenecarbothioic S-acid
CID 87850676
(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
CID 87742582

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentylidenebenzamide?
The IUPAC name of 2-bromo-N-cyclopentylidenebenzamide (CID 141137115) is 2-bromo-N-cyclopentylidenebenzamide.
What is the SMILES notation for 2-bromo-N-cyclopentylidenebenzamide?
The canonical SMILES for 2-bromo-N-cyclopentylidenebenzamide is O=C(N=C1CCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-cyclopentylidenebenzamide?
The InChIKey is RNNMZWFVCGPFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-bromo-N-cyclopentylidenebenzamide?
2-bromo-N-cyclopentylidenebenzamide has a molecular weight of 266.14 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentylidenebenzamide is sourced from PubChem (CID 141137115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).