N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide

C12H14BrCl2NO2 — CID 80671670

IUPACN-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide
SMILESCOCC(Br)CN(C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO2/c1-16(6-9(13)7-18-2)12(17)8-3-10(14)5-11(15)4-8/h3-5,9H,6-7H2,1-2H3
InChIKeyLTRFNOHWEVZZGU-UHFFFAOYSA-N
MW355.06 g/mol
LogP3.48
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide

N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide (PubChem CID 80671670) has the molecular formula C12H14BrCl2NO2 and a molecular weight of 355.06 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide
PubChem CID80671670
Molecular FormulaC12H14BrCl2NO2
Molecular Weight355.06 g/mol
Exact Mass352.96
IUPAC NameN-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide
SMILESCOCC(Br)CN(C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO2/c1-16(6-9(13)7-18-2)12(17)8-3-10(14)5-11(15)4-8/h3-5,9H,6-7H2,1-2H3
InChIKeyLTRFNOHWEVZZGU-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.06
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide 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-(2-bromo-3-methoxypropyl)-N,4-dimethylbenzamide
CID 80671004
N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide
CID 80670757
N-(2-bromo-3-methoxypropyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 80671538
N-(2-bromo-3-methoxypropyl)-N-methylpyridazine-4-carboxamide
CID 104672547
N-(2-bromo-3-methoxypropyl)-5-chloro-N-methyl-2-nitrobenzamide
CID 80671238
N-(2-bromo-3-methoxypropyl)-2-fluoro-N,5-dimethylbenzamide
CID 80671755
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
N-(2-bromo-3-methoxypropyl)-N,2-dimethylbenzamide
CID 80670784
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555
N-(2-bromo-3-methoxypropyl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 80671968
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide (CID 80671670) is N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide is COCC(Br)CN(C)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide?
The InChIKey is LTRFNOHWEVZZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO2/c1-16(6-9(13)7-18-2)12(17)8-3-10(14)5-11(15)4-8/h3-5,9H,6-7H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide?
N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide has a molecular weight of 355.06 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 80671670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).