2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

C19H22BrClN2O4 — CID 55919130

IUPAC2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc(OC)c(OC)c1Br
InChIInChI=1S/C19H22BrClN2O4/c1-23(10-12-5-7-16(26-3)19(27-4)18(12)20)11-17(24)22-14-9-13(21)6-8-15(14)25-2/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyUMYAYZWEFWBOTH-UHFFFAOYSA-N
MW457.75 g/mol
LogP4.20
Rot. Bonds8

About 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 55919130) has the molecular formula C19H22BrClN2O4 and a molecular weight of 457.75 g/mol. Its IUPAC name is 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID55919130
Molecular FormulaC19H22BrClN2O4
Molecular Weight457.75 g/mol
Exact Mass456.05
IUPAC Name2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc(OC)c(OC)c1Br
InChIInChI=1S/C19H22BrClN2O4/c1-23(10-12-5-7-16(26-3)19(27-4)18(12)20)11-17(24)22-14-9-13(21)6-8-15(14)25-2/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyUMYAYZWEFWBOTH-UHFFFAOYSA-N
XLogP4.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromo-2,5-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 17439790
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 27245257
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-(5-chloro-2-methoxyphenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 33083968
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]acetamide
CID 75514741
N-(5-chloro-2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 17462179
N-(5-chloro-2-methoxyphenyl)-2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 33184219
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
N-(2,5-dichlorophenyl)-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propanamide
CID 24588892
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2699433

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 55919130) is 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc(OC)c(OC)c1Br.
What is the InChIKey of 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is UMYAYZWEFWBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN2O4/c1-23(10-12-5-7-16(26-3)19(27-4)18(12)20)11-17(24)22-14-9-13(21)6-8-15(14)25-2/h5-9H,10-11H2,1-4H3,(H,22,24).
What are the key properties of 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 457.75 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 55919130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).