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

C32H23F3N2O3 — CID 5007619

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

N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 5007619) has the molecular formula C32H23F3N2O3 and a molecular weight of 540.54 g/mol. Its IUPAC name is N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide
• PubChem CID: 5007619
• Molecular Formula: C32H23F3N2O3
• Molecular Weight: 540.54 g/mol
• Exact Mass: 540.17
• IUPAC Name: N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide
• SMILES: O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)c1)c1ccc2ccccc2c1
• InChI: InChI=1S/C32H23F3N2O3/c33-32(34,35)26-9-3-8-24(16-26)31(39)37-14-13-28-25(19-37)18-29(40-28)22-7-4-10-27(17-22)36-30(38)23-12-11-20-5-1-2-6-21(20)15-23/h1-12,15-18H,13-14,19H2,(H,36,38)
• InChIKey: CWRWLTZEOMXGDE-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.54
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide (CID 5007619) is N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide.

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

The canonical SMILES for N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide is O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2cccc(C(F)(F)F)c2)C3)c1)c1ccc2ccccc2c1.

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

The InChIKey is CWRWLTZEOMXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F3N2O3/c33-32(34,35)26-9-3-8-24(16-26)31(39)37-14-13-28-25(19-37)18-29(40-28)22-7-4-10-27(17-22)36-30(38)23-12-11-20-5-1-2-6-21(20)15-23/h1-12,15-18H,13-14,19H2,(H,36,38).

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

N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 540.54 g/mol, XLogP of 7.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 5007619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).