(3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C17H20F2N2O2 — CID 98894774

IUPAC(3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESO=C(NC1CC1)[C@H]1CN(Cc2cccc(F)c2F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C17H20F2N2O2/c18-13-3-1-2-10(15(13)19)8-21-9-12(16-14(21)6-7-23-16)17(22)20-11-4-5-11/h1-3,11-12,14,16H,4-9H2,(H,20,22)/t12-,14+,16+/m0/s1
InChIKeyCXOMIXIVNQIMQM-JGGQBBKZSA-N
MW322.36 g/mol
LogP1.83
Rot. Bonds4

About (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 98894774) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID98894774
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name(3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESO=C(NC1CC1)[C@H]1CN(Cc2cccc(F)c2F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C17H20F2N2O2/c18-13-3-1-2-10(15(13)19)8-21-9-12(16-14(21)6-7-23-16)17(22)20-11-4-5-11/h1-3,11-12,14,16H,4-9H2,(H,20,22)/t12-,14+,16+/m0/s1
InChIKeyCXOMIXIVNQIMQM-JGGQBBKZSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 98894774) is (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is O=C(NC1CC1)[C@H]1CN(Cc2cccc(F)c2F)[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is CXOMIXIVNQIMQM-JGGQBBKZSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-13-3-1-2-10(15(13)19)8-21-9-12(16-14(21)6-7-23-16)17(22)20-11-4-5-11/h1-3,11-12,14,16H,4-9H2,(H,20,22)/t12-,14+,16+/m0/s1.
What are the key properties of (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-N-cyclopropyl-4-[(2,3-difluorophenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 98894774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).