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

C29H25ClN2O5 — CID 5055434

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

N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide (PubChem CID 5055434) has the molecular formula C29H25ClN2O5 and a molecular weight of 516.98 g/mol. Its IUPAC name is N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide
• PubChem CID: 5055434
• Molecular Formula: C29H25ClN2O5
• Molecular Weight: 516.98 g/mol
• Exact Mass: 516.15
• IUPAC Name: N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)c3ccccc3Cl)C4)cc2)c1
• InChI: InChI=1S/C29H25ClN2O5/c1-35-22-13-19(14-23(16-22)36-2)28(33)31-21-9-7-18(8-10-21)27-15-20-17-32(12-11-26(20)37-27)29(34)24-5-3-4-6-25(24)30/h3-10,13-16H,11-12,17H2,1-2H3,(H,31,33)
• InChIKey: ATRHXSKKBKNVST-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.98
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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]-3,5-dimethoxybenzamide?

The IUPAC name of N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide (CID 5055434) is N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide.

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

The canonical SMILES for N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)c3ccccc3Cl)C4)cc2)c1.

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

The InChIKey is ATRHXSKKBKNVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O5/c1-35-22-13-19(14-23(16-22)36-2)28(33)31-21-9-7-18(8-10-21)27-15-20-17-32(12-11-26(20)37-27)29(34)24-5-3-4-6-25(24)30/h3-10,13-16H,11-12,17H2,1-2H3,(H,31,33).

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

N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 516.98 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-3,5-dimethoxybenzamide is sourced from PubChem (CID 5055434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).