4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide

C26H21FN2O3 — CID 46111541

IUPAC4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C26H21FN2O3/c1-28(17-21-8-5-13-31-21)26(30)23-15-25-22(29(23)16-18-6-3-2-4-7-18)14-24(32-25)19-9-11-20(27)12-10-19/h2-15H,16-17H2,1H3
InChIKeyYSAIVDSANSUUED-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.95
Rot. Bonds6

About 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide

4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 46111541) has the molecular formula C26H21FN2O3 and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID46111541
Molecular FormulaC26H21FN2O3
Molecular Weight428.46 g/mol
Exact Mass428.15
IUPAC Name4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C26H21FN2O3/c1-28(17-21-8-5-13-31-21)26(30)23-15-25-22(29(23)16-18-6-3-2-4-7-18)14-24(32-25)19-9-11-20(27)12-10-19/h2-15H,16-17H2,1H3
InChIKeyYSAIVDSANSUUED-UHFFFAOYSA-N
XLogP5.95
TPSA51.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 46111541) is 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide is CN(Cc1ccco1)C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YSAIVDSANSUUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3/c1-28(17-21-8-5-13-31-21)26(30)23-15-25-22(29(23)16-18-6-3-2-4-7-18)14-24(32-25)19-9-11-20(27)12-10-19/h2-15H,16-17H2,1H3.
What are the key properties of 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide?
4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46111541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).