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

C28H23ClN2O4 — CID 3673935

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

N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 3673935) has the molecular formula C28H23ClN2O4 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
• PubChem CID: 3673935
• Molecular Formula: C28H23ClN2O4
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.13
• IUPAC Name: N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
• SMILES: O=C(COc1ccccc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccccc2Cl)C3)c1
• InChI: InChI=1S/C28H23ClN2O4/c29-24-12-5-4-11-23(24)28(33)31-14-13-25-20(17-31)16-26(35-25)19-7-6-8-21(15-19)30-27(32)18-34-22-9-2-1-3-10-22/h1-12,15-16H,13-14,17-18H2,(H,30,32)
• InChIKey: OKEXVXFDDSFIRF-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide (CID 3673935) is N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccccc2Cl)C3)c1.

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

The InChIKey is OKEXVXFDDSFIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O4/c29-24-12-5-4-11-23(24)28(33)31-14-13-25-20(17-31)16-26(35-25)19-7-6-8-21(15-19)30-27(32)18-34-22-9-2-1-3-10-22/h1-12,15-16H,13-14,17-18H2,(H,30,32).

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

N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 486.96 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 3673935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).