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

C18H21ClN2O3 — CID 9251366

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C18H21ClN2O3/c1-21(11-13-5-4-6-14(19)9-13)12-18(22)20-16-8-7-15(23-2)10-17(16)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyQJZPLXJGLVLGDB-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.43
Rot. Bonds7

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

2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 9251366) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID9251366
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C18H21ClN2O3/c1-21(11-13-5-4-6-14(19)9-13)12-18(22)20-16-8-7-15(23-2)10-17(16)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyQJZPLXJGLVLGDB-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249569
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113166959
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9197381
N-(2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 8798696
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26512391
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222315
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide (CID 9251366) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is QJZPLXJGLVLGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-21(11-13-5-4-6-14(19)9-13)12-18(22)20-16-8-7-15(23-2)10-17(16)24-3/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9251366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).