About N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide (PubChem CID 134028335) has the molecular formula C18H19F2NO3
and a molecular weight of 335.35 g/mol. Its IUPAC name is N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide.
Molecular Properties
| Compound Name | N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide |
| PubChem CID | 134028335 |
| Molecular Formula | C18H19F2NO3 |
| Molecular Weight | 335.35 g/mol |
| Exact Mass | 335.13 |
| IUPAC Name | N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide |
| SMILES | COCCN(Cc1ccccc1)C(=O)c1ccccc1OC(F)F |
| InChI | InChI=1S/C18H19F2NO3/c1-23-12-11-21(13-14-7-3-2-4-8-14)17(22)15-9-5-6-10-16(15)24-18(19)20/h2-10,18H,11-13H2,1H3 |
| InChIKey | UJMZUEAVJYQDQC-UHFFFAOYSA-N |
| XLogP | 3.58 |
| TPSA | 38.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 335.35 |
| LogP ≤ 5 | 3.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide (CID 134028335) is N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide is COCCN(Cc1ccccc1)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide?
The InChIKey is UJMZUEAVJYQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-23-12-11-21(13-14-7-3-2-4-8-14)17(22)15-9-5-6-10-16(15)24-18(19)20/h2-10,18H,11-13H2,1H3.
What are the key properties of N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide?
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide has a molecular weight of 335.35 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 134028335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).