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

C29H23F3N2O4 — CID 4302408

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

N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 4302408) has the molecular formula C29H23F3N2O4 and a molecular weight of 520.51 g/mol. Its IUPAC name is N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 4302408
• Molecular Formula: C29H23F3N2O4
• Molecular Weight: 520.51 g/mol
• Exact Mass: 520.16
• IUPAC Name: N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• SMILES: COc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)c5ccc(C(F)(F)F)cc5)c4)cc3C2)cc1
• InChI: InChI=1S/C29H23F3N2O4/c1-37-24-11-7-19(8-12-24)28(36)34-14-13-25-21(17-34)16-26(38-25)20-3-2-4-23(15-20)33-27(35)18-5-9-22(10-6-18)29(30,31)32/h2-12,15-16H,13-14,17H2,1H3,(H,33,35)
• InChIKey: IXOZUJVROTXULB-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 N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 4302408) is N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is COc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)c5ccc(C(F)(F)F)cc5)c4)cc3C2)cc1.

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

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

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

N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)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 N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4302408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).