2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C15H20Cl2N2O2 — CID 110830692

IUPAC2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-18-7-5-12(6-8-18)19(2)15(20)10-21-14-4-3-11(16)9-13(14)17/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyHUJALKSJKIVEAE-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.92
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 110830692) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID110830692
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-18-7-5-12(6-8-18)19(2)15(20)10-21-14-4-3-11(16)9-13(14)17/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyHUJALKSJKIVEAE-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 6600969
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 113277202
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707765
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 62072702
4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide
CID 25144213
2-(2-chloro-4-fluorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17438542
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-yloxyacetamide
CID 59421573

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 110830692) is 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)COc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is HUJALKSJKIVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-18-7-5-12(6-8-18)19(2)15(20)10-21-14-4-3-11(16)9-13(14)17/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 331.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 110830692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).