3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

C30H25F3N2O5 — CID 5186676

About 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 5186676) has the molecular formula C30H25F3N2O5 and a molecular weight of 550.53 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 5186676
• Molecular Formula: C30H25F3N2O5
• Molecular Weight: 550.53 g/mol
• Exact Mass: 550.17
• IUPAC Name: 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)c3cccc(C(F)(F)F)c3)C4)cc2)c1
• InChI: InChI=1S/C30H25F3N2O5/c1-38-24-13-20(14-25(16-24)39-2)28(36)34-23-8-6-18(7-9-23)27-15-21-17-35(11-10-26(21)40-27)29(37)19-4-3-5-22(12-19)30(31,32)33/h3-9,12-16H,10-11,17H2,1-2H3,(H,34,36)
• InChIKey: VXJROSCDKCPXEC-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.53
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 5186676) is 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)c3cccc(C(F)(F)F)c3)C4)cc2)c1.

What is the InChIKey of 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The InChIKey is VXJROSCDKCPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N2O5/c1-38-24-13-20(14-25(16-24)39-2)28(36)34-23-8-6-18(7-9-23)27-15-21-17-35(11-10-26(21)40-27)29(37)19-4-3-5-22(12-19)30(31,32)33/h3-9,12-16H,10-11,17H2,1-2H3,(H,34,36).

What are the key properties of 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 550.53 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 5186676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).