N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide

C12H14BrCl2NO — CID 80665958

IUPACN-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide
SMILESCCCN(CCBr)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO/c1-2-4-16(5-3-13)12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3
InChIKeySMOFEZZPEBFGBP-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.24
Rot. Bonds5

About N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide

N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide (PubChem CID 80665958) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide
PubChem CID80665958
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide
SMILESCCCN(CCBr)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO/c1-2-4-16(5-3-13)12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3
InChIKeySMOFEZZPEBFGBP-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide 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

3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
3-chloro-N-(2-chloroethyl)-5-methyl-N-propylbenzamide
CID 81324581
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
3-chloro-N,N-dipropylbenzamide
CID 669182
N-(2-bromoethyl)-4-fluoro-3-methyl-N-propylbenzamide
CID 80660124
N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
CID 107941380
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
N-(2-bromoethyl)-5-chloro-N-propylthiophene-2-carboxamide
CID 80665544
N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80666056
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide?
The IUPAC name of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide (CID 80665958) is N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide is CCCN(CCBr)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide?
The InChIKey is SMOFEZZPEBFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-2-4-16(5-3-13)12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide?
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide has a molecular weight of 339.06 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide is sourced from PubChem (CID 80665958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).