N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide

C16H14BrCl2FN2O — CID 24566377

IUPACN-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14BrCl2FN2O/c1-22(8-11-12(18)3-2-4-14(11)20)9-16(23)21-15-6-5-10(17)7-13(15)19/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyZBUIUPYPGFFBRB-UHFFFAOYSA-N
MW420.11 g/mol
LogP4.97
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide

N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 24566377) has the molecular formula C16H14BrCl2FN2O and a molecular weight of 420.11 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
PubChem CID24566377
Molecular FormulaC16H14BrCl2FN2O
Molecular Weight420.11 g/mol
Exact Mass417.97
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14BrCl2FN2O/c1-22(8-11-12(18)3-2-4-14(11)20)9-16(23)21-15-6-5-10(17)7-13(15)19/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyZBUIUPYPGFFBRB-UHFFFAOYSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.11
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2699433
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9197381
N-(2-acetylphenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 9197428
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16959753
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38344585
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
CID 18087925
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4880360
N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 24566360
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2657966

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide (CID 24566377) is N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is ZBUIUPYPGFFBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2FN2O/c1-22(8-11-12(18)3-2-4-14(11)20)9-16(23)21-15-6-5-10(17)7-13(15)19/h2-7H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 420.11 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24566377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).