2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C16H19Cl2NO3 — CID 133264692

About 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 133264692) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
• PubChem CID: 133264692
• Molecular Formula: C16H19Cl2NO3
• Molecular Weight: 344.24 g/mol
• Exact Mass: 343.07
• IUPAC Name: 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
• SMILES: COC[C@H]1[C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2CCO[C@H]21
• InChI: InChI=1S/C16H19Cl2NO3/c1-21-8-11-15(10-4-5-22-16(10)11)19-14(20)7-9-2-3-12(17)13(18)6-9/h2-3,6,10-11,15-16H,4-5,7-8H2,1H3,(H,19,20)/t10-,11+,15+,16-/m1/s1
• InChIKey: DQCWZKRTUYETMB-LZJQFABFSA-N
• XLogP: 2.70
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.24
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?

The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 133264692) is 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?

The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is COC[C@H]1[C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2CCO[C@H]21.

What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?

The InChIKey is DQCWZKRTUYETMB-LZJQFABFSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-21-8-11-15(10-4-5-22-16(10)11)19-14(20)7-9-2-3-12(17)13(18)6-9/h2-3,6,10-11,15-16H,4-5,7-8H2,1H3,(H,19,20)/t10-,11+,15+,16-/m1/s1.

What are the key properties of 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?

2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 344.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 133264692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).