3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide

C11H12BrCl2NO2 — CID 107941141

IUPAC3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
SMILESCOCC(Cl)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H12BrCl2NO2/c1-17-6-10(14)5-15-11(16)7-2-8(12)4-9(13)3-7/h2-4,10H,5-6H2,1H3,(H,15,16)
InChIKeyMEGZXJCEEPUYOI-UHFFFAOYSA-N
MW341.03 g/mol
LogP3.09
Rot. Bonds5

About 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide

3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide (PubChem CID 107941141) has the molecular formula C11H12BrCl2NO2 and a molecular weight of 341.03 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
PubChem CID107941141
Molecular FormulaC11H12BrCl2NO2
Molecular Weight341.03 g/mol
Exact Mass338.94
IUPAC Name3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
SMILESCOCC(Cl)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H12BrCl2NO2/c1-17-6-10(14)5-15-11(16)7-2-8(12)4-9(13)3-7/h2-4,10H,5-6H2,1H3,(H,15,16)
InChIKeyMEGZXJCEEPUYOI-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.03
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide (CID 107941141) is 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide is COCC(Cl)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
The InChIKey is MEGZXJCEEPUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO2/c1-17-6-10(14)5-15-11(16)7-2-8(12)4-9(13)3-7/h2-4,10H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide?
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide has a molecular weight of 341.03 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide is sourced from PubChem (CID 107941141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).