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

C26H25F3N2O3 — CID 3544612

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

3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide (PubChem CID 3544612) has the molecular formula C26H25F3N2O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is 3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
• PubChem CID: 3544612
• Molecular Formula: C26H25F3N2O3
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.18
• IUPAC Name: 3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)c1
• InChI: InChI=1S/C26H25F3N2O3/c1-16(2)11-24(32)30-21-8-4-5-17(13-21)23-14-19-15-31(10-9-22(19)34-23)25(33)18-6-3-7-20(12-18)26(27,28)29/h3-8,12-14,16H,9-11,15H2,1-2H3,(H,30,32)
• InChIKey: QVEKWMLIBWRNRV-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide (CID 3544612) is 3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide.

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

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

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

The InChIKey is QVEKWMLIBWRNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O3/c1-16(2)11-24(32)30-21-8-4-5-17(13-21)23-14-19-15-31(10-9-22(19)34-23)25(33)18-6-3-7-20(12-18)26(27,28)29/h3-8,12-14,16H,9-11,15H2,1-2H3,(H,30,32).

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

3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide has a molecular weight of 470.49 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide is sourced from PubChem (CID 3544612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).