4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C26H26ClNO2 — CID 133190710

About 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 133190710) has the molecular formula C26H26ClNO2 and a molecular weight of 419.95 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
• PubChem CID: 133190710
• Molecular Formula: C26H26ClNO2
• Molecular Weight: 419.95 g/mol
• Exact Mass: 419.17
• IUPAC Name: 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
• SMILES: CC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C26H26ClNO2/c1-18(21-11-10-19-6-2-3-7-22(19)16-21)28-26(29)20-12-14-24(15-13-20)30-17-23-8-4-5-9-25(23)27/h4-5,8-16,18H,2-3,6-7,17H2,1H3,(H,28,29)
• InChIKey: LDJCMODIYZEILL-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.95
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 133190710) is 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

The InChIKey is LDJCMODIYZEILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO2/c1-18(21-11-10-19-6-2-3-7-22(19)16-21)28-26(29)20-12-14-24(15-13-20)30-17-23-8-4-5-9-25(23)27/h4-5,8-16,18H,2-3,6-7,17H2,1H3,(H,28,29).

What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 419.95 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 133190710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).