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

C25H24Cl2N2O3 — CID 42785079

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

N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide (PubChem CID 42785079) has the molecular formula C25H24Cl2N2O3 and a molecular weight of 471.38 g/mol. Its IUPAC name is N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide.

Molecular Properties

• Compound Name: N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide
• PubChem CID: 42785079
• Molecular Formula: C25H24Cl2N2O3
• Molecular Weight: 471.38 g/mol
• Exact Mass: 470.12
• IUPAC Name: N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide
• SMILES: CCCCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C25H24Cl2N2O3/c1-2-3-4-24(30)28-19-8-5-16(6-9-19)23-14-18-15-29(12-11-22(18)32-23)25(31)17-7-10-20(26)21(27)13-17/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,28,30)
• InChIKey: QOTYERBYEJYRNW-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.38
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide (CID 42785079) is N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide.

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

The canonical SMILES for N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1.

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

The InChIKey is QOTYERBYEJYRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3/c1-2-3-4-24(30)28-19-8-5-16(6-9-19)23-14-18-15-29(12-11-22(18)32-23)25(31)17-7-10-20(26)21(27)13-17/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,28,30).

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

N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide has a molecular weight of 471.38 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide is sourced from PubChem (CID 42785079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).