5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide

C18H18BrCl2NO2 — CID 46762526

IUPAC5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18BrCl2NO2/c1-11(2)10-24-17-6-4-13(19)7-15(17)18(23)22-9-12-3-5-14(20)8-16(12)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyDLZDUDGKPOTRHU-UHFFFAOYSA-N
MW431.16 g/mol
LogP5.72
Rot. Bonds6

About 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide

5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide (PubChem CID 46762526) has the molecular formula C18H18BrCl2NO2 and a molecular weight of 431.16 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide
PubChem CID46762526
Molecular FormulaC18H18BrCl2NO2
Molecular Weight431.16 g/mol
Exact Mass428.99
IUPAC Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18BrCl2NO2/c1-11(2)10-24-17-6-4-13(19)7-15(17)18(23)22-9-12-3-5-14(20)8-16(12)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyDLZDUDGKPOTRHU-UHFFFAOYSA-N
XLogP5.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.16
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
CID 46762525
5-bromo-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 46762788
5-bromo-N-(2-methoxyethylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17051210
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783682
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
5-bromo-N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 54786230
5-bromo-N-(methylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17051257
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17051053
5-bromo-2-(2-methylpropoxy)-N-(prop-2-enylcarbamothioyl)benzamide
CID 17051209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide (CID 46762526) is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide is CC(C)COc1ccc(Br)cc1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is DLZDUDGKPOTRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrCl2NO2/c1-11(2)10-24-17-6-4-13(19)7-15(17)18(23)22-9-12-3-5-14(20)8-16(12)21/h3-8,11H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide?
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 431.16 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 46762526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).