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

C28H22Cl2N2O4 — CID 4588443

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

N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide (PubChem CID 4588443) has the molecular formula C28H22Cl2N2O4 and a molecular weight of 521.40 g/mol. Its IUPAC name is N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide
• PubChem CID: 4588443
• Molecular Formula: C28H22Cl2N2O4
• Molecular Weight: 521.40 g/mol
• Exact Mass: 520.10
• IUPAC Name: N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3ccc(Cl)c(Cl)c3)C4)c2)cc1
• InChI: InChI=1S/C28H22Cl2N2O4/c1-35-22-8-5-17(6-9-22)27(33)31-21-4-2-3-18(13-21)26-15-20-16-32(12-11-25(20)36-26)28(34)19-7-10-23(29)24(30)14-19/h2-10,13-15H,11-12,16H2,1H3,(H,31,33)
• InChIKey: XZJLJYQFKHOFJN-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.40
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide (CID 4588443) is N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide.

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

The canonical SMILES for N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3ccc(Cl)c(Cl)c3)C4)c2)cc1.

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

The InChIKey is XZJLJYQFKHOFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O4/c1-35-22-8-5-17(6-9-22)27(33)31-21-4-2-3-18(13-21)26-15-20-16-32(12-11-25(20)36-26)28(34)19-7-10-23(29)24(30)14-19/h2-10,13-15H,11-12,16H2,1H3,(H,31,33).

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

N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide has a molecular weight of 521.40 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 4588443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).