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

C27H20ClFN2O3 — CID 42784995

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

N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide (PubChem CID 42784995) has the molecular formula C27H20ClFN2O3 and a molecular weight of 474.92 g/mol. Its IUPAC name is N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide
• PubChem CID: 42784995
• Molecular Formula: C27H20ClFN2O3
• Molecular Weight: 474.92 g/mol
• Exact Mass: 474.11
• IUPAC Name: N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide
• SMILES: O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccccc2Cl)C3)cc1)c1ccc(F)cc1
• InChI: InChI=1S/C27H20ClFN2O3/c28-23-4-2-1-3-22(23)27(33)31-14-13-24-19(16-31)15-25(34-24)17-7-11-21(12-8-17)30-26(32)18-5-9-20(29)10-6-18/h1-12,15H,13-14,16H2,(H,30,32)
• InChIKey: NEZSGEYJDHRZDL-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.92
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide (CID 42784995) is N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide.

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

The canonical SMILES for N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide is O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccccc2Cl)C3)cc1)c1ccc(F)cc1.

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

The InChIKey is NEZSGEYJDHRZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClFN2O3/c28-23-4-2-1-3-22(23)27(33)31-14-13-24-19(16-31)15-25(34-24)17-7-11-21(12-8-17)30-26(32)18-5-9-20(29)10-6-18/h1-12,15H,13-14,16H2,(H,30,32).

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

N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide has a molecular weight of 474.92 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 42784995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).