4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide

C11H11Br2NO — CID 102852072

IUPAC4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
SMILESC=C(Br)CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H11Br2NO/c1-8(13)7-14-11(15)10-4-2-9(6-12)3-5-10/h2-5H,1,6-7H2,(H,14,15)
InChIKeyUWSCDJVWFANNCY-UHFFFAOYSA-N
MW333.02 g/mol
LogP3.22
Rot. Bonds4

About 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide

4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide (PubChem CID 102852072) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
PubChem CID102852072
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC Name4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
SMILESC=C(Br)CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H11Br2NO/c1-8(13)7-14-11(15)10-4-2-9(6-12)3-5-10/h2-5H,1,6-7H2,(H,14,15)
InChIKeyUWSCDJVWFANNCY-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide 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-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
CID 47438805
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-(2-bromoprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115594455
4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106290959
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide (CID 102852072) is 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide is C=C(Br)CNC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide?
The InChIKey is UWSCDJVWFANNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c1-8(13)7-14-11(15)10-4-2-9(6-12)3-5-10/h2-5H,1,6-7H2,(H,14,15).
What are the key properties of 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide?
4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide has a molecular weight of 333.02 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide is sourced from PubChem (CID 102852072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).