N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide

C48H53ClN6O7 — CID 175219869

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide (PubChem CID 175219869) has the molecular formula C48H53ClN6O7 and a molecular weight of 861.44 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide
• PubChem CID: 175219869
• Molecular Formula: C48H53ClN6O7
• Molecular Weight: 861.44 g/mol
• Exact Mass: 860.37
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide
• SMILES: CC1(C)C(NC(=O)c2ccc(O[C@@H]3CCN(CCC4CCN(c5ccc6c7c(oc6c5)C(=O)N(C5CCC(=O)NC5=O)C7)CC4)C3)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C48H53ClN6O7/c1-47(2)45(48(3,4)46(47)61-33-11-7-30(25-50)37(49)24-33)52-42(57)29-5-9-32(10-6-29)60-34-18-20-53(26-34)19-15-28-16-21-54(22-17-28)31-8-12-35-36-27-55(38-13-14-40(56)51-43(38)58)44(59)41(36)62-39(35)23-31/h5-12,23-24,28,34,38,45-46H,13-22,26-27H2,1-4H3,(H,52,57)(H,51,56,58)/t34-,38?,45?,46?/m1/s1
• InChIKey: IBPNCFHBBAVZFN-LMIZTASJSA-N
• XLogP: 7.09
• TPSA: 157.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.44
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide (CID 175219869) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide is CC1(C)C(NC(=O)c2ccc(O[C@@H]3CCN(CCC4CCN(c5ccc6c7c(oc6c5)C(=O)N(C5CCC(=O)NC5=O)C7)CC4)C3)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide?

The InChIKey is IBPNCFHBBAVZFN-LMIZTASJSA-N. The full InChI is InChI=1S/C48H53ClN6O7/c1-47(2)45(48(3,4)46(47)61-33-11-7-30(25-50)37(49)24-33)52-42(57)29-5-9-32(10-6-29)60-34-18-20-53(26-34)19-15-28-16-21-54(22-17-28)31-8-12-35-36-27-55(38-13-14-40(56)51-43(38)58)44(59)41(36)62-39(35)23-31/h5-12,23-24,28,34,38,45-46H,13-22,26-27H2,1-4H3,(H,52,57)(H,51,56,58)/t34-,38?,45?,46?/m1/s1.

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide has a molecular weight of 861.44 g/mol, XLogP of 7.09, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-[1]benzofuro[2,3-c]pyrrol-6-yl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]oxybenzamide is sourced from PubChem (CID 175219869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).