2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide

C18H19Br2ClN2O — CID 46573873

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN(C)C(C)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C18H19Br2ClN2O/c1-11-8-15(19)18(16(20)9-11)22-17(24)10-23(3)12(2)13-4-6-14(21)7-5-13/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyOHJZYNNKILKKBZ-UHFFFAOYSA-N
MW474.62 g/mol
LogP5.80
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide

2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 46573873) has the molecular formula C18H19Br2ClN2O and a molecular weight of 474.62 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID46573873
Molecular FormulaC18H19Br2ClN2O
Molecular Weight474.62 g/mol
Exact Mass471.96
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN(C)C(C)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C18H19Br2ClN2O/c1-11-8-15(19)18(16(20)9-11)22-17(24)10-23(3)12(2)13-4-6-14(21)7-5-13/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyOHJZYNNKILKKBZ-UHFFFAOYSA-N
XLogP5.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 27222414
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
N-(2-fluorophenyl)-2-[methyl-[1-(4-methylphenyl)ethyl]amino]acetamide
CID 78880353
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 46573663
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
CID 46573593
N-(2-chloro-4,6-dimethylphenyl)-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 27651283
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46573642
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 46823144
N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964623

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 46573873) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)CN(C)C(C)c2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is OHJZYNNKILKKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2ClN2O/c1-11-8-15(19)18(16(20)9-11)22-17(24)10-23(3)12(2)13-4-6-14(21)7-5-13/h4-9,12H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 474.62 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 46573873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).