N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide

C11H12BrCl2NO — CID 114313406

IUPACN-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
SMILESCC(CBr)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-7(5-12)6-15-11(16)8-2-3-9(13)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyLVVDDPJRVVIQDC-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.75
Rot. Bonds4

About N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide

N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide (PubChem CID 114313406) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
PubChem CID114313406
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC NameN-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
SMILESCC(CBr)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-7(5-12)6-15-11(16)8-2-3-9(13)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyLVVDDPJRVVIQDC-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
methyl 2-bromo-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 103492691
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313445
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide (CID 114313406) is N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide is CC(CBr)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide?
The InChIKey is LVVDDPJRVVIQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-7(5-12)6-15-11(16)8-2-3-9(13)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide?
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide has a molecular weight of 325.03 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 114313406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).