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

C17H17Br2ClN2O — CID 27222414

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN(C)Cc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C17H17Br2ClN2O/c1-11-7-14(18)17(15(19)8-11)21-16(23)10-22(2)9-12-3-5-13(20)6-4-12/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyAEEWEXYEOGHIEO-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.24
Rot. Bonds5

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

2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 27222414) has the molecular formula C17H17Br2ClN2O and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID27222414
Molecular FormulaC17H17Br2ClN2O
Molecular Weight460.60 g/mol
Exact Mass457.94
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN(C)Cc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C17H17Br2ClN2O/c1-11-7-14(18)17(15(19)8-11)21-16(23)10-22(2)9-12-3-5-13(20)6-4-12/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyAEEWEXYEOGHIEO-UHFFFAOYSA-N
XLogP5.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 46573873
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964623
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8709670
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 27239909
2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 27222414) is 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)CN(C)Cc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is AEEWEXYEOGHIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2ClN2O/c1-11-7-14(18)17(15(19)8-11)21-16(23)10-22(2)9-12-3-5-13(20)6-4-12/h3-8H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 460.60 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 27222414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).