N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C19H21BrClN3O2 — CID 38344585

IUPACN-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C19H21BrClN3O2/c1-12-5-4-6-13(2)19(12)23-18(26)11-24(3)10-17(25)22-16-8-7-14(20)9-15(16)21/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGTBAVMVJNRKIJM-UHFFFAOYSA-N
MW438.75 g/mol
LogP4.23
Rot. Bonds6

About N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 38344585) has the molecular formula C19H21BrClN3O2 and a molecular weight of 438.75 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID38344585
Molecular FormulaC19H21BrClN3O2
Molecular Weight438.75 g/mol
Exact Mass437.05
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C19H21BrClN3O2/c1-12-5-4-6-13(2)19(12)23-18(26)11-24(3)10-17(25)22-16-8-7-14(20)9-15(16)21/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGTBAVMVJNRKIJM-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.75
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566377
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339279
N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 24566360
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-(2-chloro-4-nitrophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9288060
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 38344585) is N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is GTBAVMVJNRKIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O2/c1-12-5-4-6-13(2)19(12)23-18(26)11-24(3)10-17(25)22-16-8-7-14(20)9-15(16)21/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 438.75 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 38344585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).