N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide

C17H18Br2N2O — CID 27204786

IUPACN-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccccc2Br)c(Br)c1
InChIInChI=1S/C17H18Br2N2O/c1-12-7-8-16(15(19)9-12)20-17(22)11-21(2)10-13-5-3-4-6-14(13)18/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyYFDUEYWTTUKRPG-UHFFFAOYSA-N
MW426.15 g/mol
LogP4.59
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide

N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide (PubChem CID 27204786) has the molecular formula C17H18Br2N2O and a molecular weight of 426.15 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
PubChem CID27204786
Molecular FormulaC17H18Br2N2O
Molecular Weight426.15 g/mol
Exact Mass423.98
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccccc2Br)c(Br)c1
InChIInChI=1S/C17H18Br2N2O/c1-12-7-8-16(15(19)9-12)20-17(22)11-21(2)10-13-5-3-4-6-14(13)18/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyYFDUEYWTTUKRPG-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.15
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27204672
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 27215844
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
N-(2-bromo-4-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
CID 31380089
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide (CID 27204786) is N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccccc2Br)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The InChIKey is YFDUEYWTTUKRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O/c1-12-7-8-16(15(19)9-12)20-17(22)11-21(2)10-13-5-3-4-6-14(13)18/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide has a molecular weight of 426.15 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 27204786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).