3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide

C23H28Cl2N2O3 — CID 11408346

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3/c1-29-21-8-6-18(23(28)26-10-13-27-11-3-2-4-12-27)15-22(21)30-14-9-17-5-7-19(24)16-20(17)25/h5-8,15-16H,2-4,9-14H2,1H3,(H,26,28)
InChIKeyVKDYLTPIHXKULL-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.84
Rot. Bonds9

About 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 11408346) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID11408346
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3/c1-29-21-8-6-18(23(28)26-10-13-27-11-3-2-4-12-27)15-22(21)30-14-9-17-5-7-19(24)16-20(17)25/h5-8,15-16H,2-4,9-14H2,1H3,(H,26,28)
InChIKeyVKDYLTPIHXKULL-UHFFFAOYSA-N
XLogP4.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide (CID 11408346) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide is COc1ccc(C(=O)NCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is VKDYLTPIHXKULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-29-21-8-6-18(23(28)26-10-13-27-11-3-2-4-12-27)15-22(21)30-14-9-17-5-7-19(24)16-20(17)25/h5-8,15-16H,2-4,9-14H2,1H3,(H,26,28).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 451.39 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 11408346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).