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

C26H32Cl2N2O4 — CID 11214337

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H32Cl2N2O4/c1-32-24-5-3-19(16-25(24)34-15-8-18-2-4-20(27)17-23(18)28)26(31)29-21-6-11-30(12-7-21)22-9-13-33-14-10-22/h2-5,16-17,21-22H,6-15H2,1H3,(H,29,31)
InChIKeyGQVLLJLAIFRJRG-UHFFFAOYSA-N
MW507.46 g/mol
LogP5.00
Rot. Bonds8

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

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (PubChem CID 11214337) has the molecular formula C26H32Cl2N2O4 and a molecular weight of 507.46 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
PubChem CID11214337
Molecular FormulaC26H32Cl2N2O4
Molecular Weight507.46 g/mol
Exact Mass506.17
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H32Cl2N2O4/c1-32-24-5-3-19(16-25(24)34-15-8-18-2-4-20(27)17-23(18)28)26(31)29-21-6-11-30(12-7-21)22-9-13-33-14-10-22/h2-5,16-17,21-22H,6-15H2,1H3,(H,29,31)
InChIKeyGQVLLJLAIFRJRG-UHFFFAOYSA-N
XLogP5.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (CID 11214337) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The InChIKey is GQVLLJLAIFRJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N2O4/c1-32-24-5-3-19(16-25(24)34-15-8-18-2-4-20(27)17-23(18)28)26(31)29-21-6-11-30(12-7-21)22-9-13-33-14-10-22/h2-5,16-17,21-22H,6-15H2,1H3,(H,29,31).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide has a molecular weight of 507.46 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 11214337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).