3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C25H24ClNO3 — CID 100749910

About 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 100749910) has the molecular formula C25H24ClNO3 and a molecular weight of 421.92 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• PubChem CID: 100749910
• Molecular Formula: C25H24ClNO3
• Molecular Weight: 421.92 g/mol
• Exact Mass: 421.14
• IUPAC Name: 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• SMILES: COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1
• InChI: InChI=1S/C25H24ClNO3/c1-29-20-12-13-22-17(14-20)7-5-11-24(22)27-25(28)18-8-4-9-21(15-18)30-16-19-6-2-3-10-23(19)26/h2-4,6,8-10,12-15,24H,5,7,11,16H2,1H3,(H,27,28)/t24-/m0/s1
• InChIKey: HATKNNQVRRDSEW-DEOSSOPVSA-N
• XLogP: 5.74
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.92
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 100749910) is 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1.

What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The InChIKey is HATKNNQVRRDSEW-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24ClNO3/c1-29-20-12-13-22-17(14-20)7-5-11-24(22)27-25(28)18-8-4-9-21(15-18)30-16-19-6-2-3-10-23(19)26/h2-4,6,8-10,12-15,24H,5,7,11,16H2,1H3,(H,27,28)/t24-/m0/s1.

What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 421.92 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 100749910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).