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

C28H23ClN2O4 — CID 42784051

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

N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 42784051) has the molecular formula C28H23ClN2O4 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
• PubChem CID: 42784051
• Molecular Formula: C28H23ClN2O4
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.13
• IUPAC Name: N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
• SMILES: O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccccc2)C3)c1
• InChI: InChI=1S/C28H23ClN2O4/c29-22-9-11-24(12-10-22)34-18-27(32)30-23-8-4-7-20(15-23)26-16-21-17-31(14-13-25(21)35-26)28(33)19-5-2-1-3-6-19/h1-12,15-16H,13-14,17-18H2,(H,30,32)
• InChIKey: MZOKPEQROKSMKK-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-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide?

The IUPAC name of N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide (CID 42784051) is N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide.

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

The canonical SMILES for N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccccc2)C3)c1.

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

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

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

N-[3-(5-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide 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-benzoyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 42784051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).