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

C29H23F3N2O4 — CID 4684067

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

2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 4684067) has the molecular formula C29H23F3N2O4 and a molecular weight of 520.51 g/mol. Its IUPAC name is 2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 4684067
• Molecular Formula: C29H23F3N2O4
• Molecular Weight: 520.51 g/mol
• Exact Mass: 520.16
• IUPAC Name: 2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: COc1ccccc1C(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)c1
• InChI: InChI=1S/C29H23F3N2O4/c1-37-25-11-3-2-10-23(25)27(35)33-22-9-5-6-18(15-22)26-16-20-17-34(13-12-24(20)38-26)28(36)19-7-4-8-21(14-19)29(30,31)32/h2-11,14-16H,12-13,17H2,1H3,(H,33,35)
• InChIKey: VFYNKHQYGVBVKB-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 4684067) is 2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is COc1ccccc1C(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)c1.

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

The InChIKey is VFYNKHQYGVBVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N2O4/c1-37-25-11-3-2-10-23(25)27(35)33-22-9-5-6-18(15-22)26-16-20-17-34(13-12-24(20)38-26)28(36)19-7-4-8-21(14-19)29(30,31)32/h2-11,14-16H,12-13,17H2,1H3,(H,33,35).

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

2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 520.51 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 4684067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).