4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide

C24H23FN2O2 — CID 42882192

IUPAC4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C24H23FN2O2/c1-16(2)14-26-24(28)21-13-23-20(27(21)15-17-6-4-3-5-7-17)12-22(29-23)18-8-10-19(25)11-9-18/h3-13,16H,14-15H2,1-2H3,(H,26,28)
InChIKeyMFCFVAOQTRYGTR-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.47
Rot. Bonds6

About 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide

4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42882192) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42882192
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C24H23FN2O2/c1-16(2)14-26-24(28)21-13-23-20(27(21)15-17-6-4-3-5-7-17)12-22(29-23)18-8-10-19(25)11-9-18/h3-13,16H,14-15H2,1-2H3,(H,26,28)
InChIKeyMFCFVAOQTRYGTR-UHFFFAOYSA-N
XLogP5.47
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42882192) is 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide is CC(C)CNC(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MFCFVAOQTRYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-16(2)14-26-24(28)21-13-23-20(27(21)15-17-6-4-3-5-7-17)12-22(29-23)18-8-10-19(25)11-9-18/h3-13,16H,14-15H2,1-2H3,(H,26,28).
What are the key properties of 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-fluorophenyl)-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42882192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).