2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide

C20H24Cl2N2O2 — CID 8947640

IUPAC2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O2/c1-3-24(4-2)13-16-7-5-15(6-8-16)12-23-20(25)14-26-19-10-9-17(21)11-18(19)22/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)
InChIKeyHPFAQFJOVAUHBV-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.53
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide (PubChem CID 8947640) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
PubChem CID8947640
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O2/c1-3-24(4-2)13-16-7-5-15(6-8-16)12-23-20(25)14-26-19-10-9-17(21)11-18(19)22/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)
InChIKeyHPFAQFJOVAUHBV-UHFFFAOYSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 46665376
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8948095
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 55693778
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide (CID 8947640) is 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide is CCN(CC)Cc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The InChIKey is HPFAQFJOVAUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-3-24(4-2)13-16-7-5-15(6-8-16)12-23-20(25)14-26-19-10-9-17(21)11-18(19)22/h5-11H,3-4,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide has a molecular weight of 395.33 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8947640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).