2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

C14H18Cl3N3O — CID 106613623

IUPAC2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CC1CCCN1
InChIInChI=1S/C14H18Cl3N3O/c1-20(7-10-3-2-4-18-10)8-13(21)19-14-11(16)5-9(15)6-12(14)17/h5-6,10,18H,2-4,7-8H2,1H3,(H,19,21)
InChIKeyZCUSIIDIXOLCOP-UHFFFAOYSA-N
MW350.68 g/mol
LogP3.27
Rot. Bonds5

About 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 106613623) has the molecular formula C14H18Cl3N3O and a molecular weight of 350.68 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID106613623
Molecular FormulaC14H18Cl3N3O
Molecular Weight350.68 g/mol
Exact Mass349.05
IUPAC Name2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CC1CCCN1
InChIInChI=1S/C14H18Cl3N3O/c1-20(7-10-3-2-4-18-10)8-13(21)19-14-11(16)5-9(15)6-12(14)17/h5-6,10,18H,2-4,7-8H2,1H3,(H,19,21)
InChIKeyZCUSIIDIXOLCOP-UHFFFAOYSA-N
XLogP3.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869
N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635701
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635384
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (CID 106613623) is 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CC1CCCN1.
What is the InChIKey of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is ZCUSIIDIXOLCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3N3O/c1-20(7-10-3-2-4-18-10)8-13(21)19-14-11(16)5-9(15)6-12(14)17/h5-6,10,18H,2-4,7-8H2,1H3,(H,19,21).
What are the key properties of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 350.68 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 106613623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).