4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide

C27H26FN3O3 — CID 42882447

IUPAC4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C27H26FN3O3/c28-21-11-9-20(10-12-21)24-16-22-25(34-24)17-23(31(22)18-19-6-2-1-3-7-19)27(33)29-13-5-15-30-14-4-8-26(30)32/h1-3,6-7,9-12,16-17H,4-5,8,13-15,18H2,(H,29,33)
InChIKeyUFPSNARQAMHAOU-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.83
Rot. Bonds8

About 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide

4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42882447) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42882447
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C27H26FN3O3/c28-21-11-9-20(10-12-21)24-16-22-25(34-24)17-23(31(22)18-19-6-2-1-3-7-19)27(33)29-13-5-15-30-14-4-8-26(30)32/h1-3,6-7,9-12,16-17H,4-5,8,13-15,18H2,(H,29,33)
InChIKeyUFPSNARQAMHAOU-UHFFFAOYSA-N
XLogP4.83
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42882192
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50815808
4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 46111541
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051668
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide
CID 42122386
1-[(3-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108898444
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide (CID 42882447) is 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UFPSNARQAMHAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c28-21-11-9-20(10-12-21)24-16-22-25(34-24)17-23(31(22)18-19-6-2-1-3-7-19)27(33)29-13-5-15-30-14-4-8-26(30)32/h1-3,6-7,9-12,16-17H,4-5,8,13-15,18H2,(H,29,33).
What are the key properties of 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide?
4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42882447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).