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

C26H25ClN2O4 — CID 42785263

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

2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (PubChem CID 42785263) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
• PubChem CID: 42785263
• Molecular Formula: C26H25ClN2O4
• Molecular Weight: 464.95 g/mol
• Exact Mass: 464.15
• IUPAC Name: 2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
• SMILES: O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCC2)C3)c1
• InChI: InChI=1S/C26H25ClN2O4/c27-20-7-9-22(10-8-20)32-16-25(30)28-21-6-2-5-18(13-21)24-14-19-15-29(12-11-23(19)33-24)26(31)17-3-1-4-17/h2,5-10,13-14,17H,1,3-4,11-12,15-16H2,(H,28,30)
• InChIKey: FSNRRYFHTVJFSL-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.95
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (CID 42785263) is 2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCC2)C3)c1.

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

The InChIKey is FSNRRYFHTVJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c27-20-7-9-22(10-8-20)32-16-25(30)28-21-6-2-5-18(13-21)24-14-19-15-29(12-11-23(19)33-24)26(31)17-3-1-4-17/h2,5-10,13-14,17H,1,3-4,11-12,15-16H2,(H,28,30).

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

2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide has a molecular weight of 464.95 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[3-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 42785263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).