2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide

C17H17Br2NO — CID 107951738

IUPAC2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C17H17Br2NO/c1-11-4-5-13(12(2)8-11)10-20(3)17(21)15-7-6-14(18)9-16(15)19/h4-9H,10H2,1-3H3
InChIKeyGLHGNKPAEFUIBY-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.10
Rot. Bonds3

About 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide

2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide (PubChem CID 107951738) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
PubChem CID107951738
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC Name2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C17H17Br2NO/c1-11-4-5-13(12(2)8-11)10-20(3)17(21)15-7-6-14(18)9-16(15)19/h4-9H,10H2,1-3H3
InChIKeyGLHGNKPAEFUIBY-UHFFFAOYSA-N
XLogP5.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62648755
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 154754676
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18117131
2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 103882406

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide (CID 107951738) is 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide is Cc1ccc(CN(C)C(=O)c2ccc(Br)cc2Br)c(C)c1.
What is the InChIKey of 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The InChIKey is GLHGNKPAEFUIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-11-4-5-13(12(2)8-11)10-20(3)17(21)15-7-6-14(18)9-16(15)19/h4-9H,10H2,1-3H3.
What are the key properties of 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide has a molecular weight of 411.14 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 107951738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).