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

C23H27ClN2O3 — CID 42785260

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

3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 42785260) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
• PubChem CID: 42785260
• Molecular Formula: C23H27ClN2O3
• Molecular Weight: 414.93 g/mol
• Exact Mass: 414.17
• IUPAC Name: 3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(CCl)C(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCC2)C3)c1
• InChI: InChI=1S/C23H27ClN2O3/c1-23(2,14-24)22(28)25-18-8-4-7-16(11-18)20-12-17-13-26(10-9-19(17)29-20)21(27)15-5-3-6-15/h4,7-8,11-12,15H,3,5-6,9-10,13-14H2,1-2H3,(H,25,28)
• InChIKey: JOZVULDQVYGXRK-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.93
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide (CID 42785260) is 3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide.

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

The canonical SMILES for 3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCC2)C3)c1.

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

The InChIKey is JOZVULDQVYGXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-23(2,14-24)22(28)25-18-8-4-7-16(11-18)20-12-17-13-26(10-9-19(17)29-20)21(27)15-5-3-6-15/h4,7-8,11-12,15H,3,5-6,9-10,13-14H2,1-2H3,(H,25,28).

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

3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 414.93 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42785260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).