4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide

C18H20Cl2N2O2 — CID 2193355

IUPAC4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(2)10-9-21-18(23)14-5-3-13(4-6-14)12-24-17-8-7-15(19)11-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyYLBHFMUBTMFLKO-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.86
Rot. Bonds7

About 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide

4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 2193355) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID2193355
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(2)10-9-21-18(23)14-5-3-13(4-6-14)12-24-17-8-7-15(19)11-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyYLBHFMUBTMFLKO-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 2193355) is 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is YLBHFMUBTMFLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-22(2)10-9-21-18(23)14-5-3-13(4-6-14)12-24-17-8-7-15(19)11-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 367.28 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 2193355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).