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

C30H25F3N2O3 — CID 3272112

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

3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (PubChem CID 3272112) has the molecular formula C30H25F3N2O3 and a molecular weight of 518.54 g/mol. Its IUPAC name is 3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• PubChem CID: 3272112
• Molecular Formula: C30H25F3N2O3
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.18
• IUPAC Name: 3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• SMILES: O=C(CCc1ccccc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)c1
• InChI: InChI=1S/C30H25F3N2O3/c31-30(32,33)24-10-4-9-22(16-24)29(37)35-15-14-26-23(19-35)18-27(38-26)21-8-5-11-25(17-21)34-28(36)13-12-20-6-2-1-3-7-20/h1-11,16-18H,12-15,19H2,(H,34,36)
• InChIKey: OIMWUEPWDXXNAP-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (CID 3272112) is 3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

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

The canonical SMILES for 3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is O=C(CCc1ccccc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)c1.

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

The InChIKey is OIMWUEPWDXXNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N2O3/c31-30(32,33)24-10-4-9-22(16-24)29(37)35-15-14-26-23(19-35)18-27(38-26)21-8-5-11-25(17-21)34-28(36)13-12-20-6-2-1-3-7-20/h1-11,16-18H,12-15,19H2,(H,34,36).

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

3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide has a molecular weight of 518.54 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is sourced from PubChem (CID 3272112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).