N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide

C₁₈H₁₉F₂NO₄ — CID 2467684

About N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide

N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide (PubChem CID 2467684) has the molecular formula C₁₈H₁₉F₂NO₄ and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

• Compound Name: N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
• PubChem CID: 2467684
• Molecular Formula: C₁₈H₁₉F₂NO₄
• Molecular Weight: 351.35 g/mol
• Exact Mass: 351.13
• IUPAC Name: N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
• SMILES: CCOc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OCC
• InChI: InChI=1S/C18H19F2NO4/c1-3-23-15-10-5-12(11-16(15)24-4-2)17(22)21-13-6-8-14(9-7-13)25-18(19)20/h5-11,18H,3-4H2,1-2H3,(H,21,22)
• InChIKey: MMVCPDPDLBICLL-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.35
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?

The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide (CID 2467684) is N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide.

What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?

The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OCC.

What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?

The InChIKey is MMVCPDPDLBICLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-3-23-15-10-5-12(11-16(15)24-4-2)17(22)21-13-6-8-14(9-7-13)25-18(19)20/h5-11,18H,3-4H2,1-2H3,(H,21,22).

What are the key properties of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?

N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide has a molecular weight of 351.35 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 2467684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2467684 — identifiers, structure, computed properties (public domain)

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