N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide

C18H20BrClN2O3 — CID 24566360

IUPACN-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2ccc(Br)cc2Cl)c1OC
InChIInChI=1S/C18H20BrClN2O3/c1-22(10-12-5-4-6-16(24-2)18(12)25-3)11-17(23)21-15-8-7-13(19)9-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeySXOLQDMFJLPGBH-UHFFFAOYSA-N
MW427.73 g/mol
LogP4.19
Rot. Bonds7

About N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide

N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 24566360) has the molecular formula C18H20BrClN2O3 and a molecular weight of 427.73 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
PubChem CID24566360
Molecular FormulaC18H20BrClN2O3
Molecular Weight427.73 g/mol
Exact Mass426.03
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2ccc(Br)cc2Cl)c1OC
InChIInChI=1S/C18H20BrClN2O3/c1-22(10-12-5-4-6-16(24-2)18(12)25-3)11-17(23)21-15-8-7-13(19)9-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeySXOLQDMFJLPGBH-UHFFFAOYSA-N
XLogP4.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.73
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 4880362
N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 27239909
N-(5-chloro-2-cyanophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2699271
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088
N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566377
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 9136429
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38344585
2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55919130
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide (CID 24566360) is N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide is COc1cccc(CN(C)CC(=O)Nc2ccc(Br)cc2Cl)c1OC.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is SXOLQDMFJLPGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3/c1-22(10-12-5-4-6-16(24-2)18(12)25-3)11-17(23)21-15-8-7-13(19)9-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 427.73 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24566360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).