(3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C18H22F2N2O2 — CID 97422366

IUPAC(3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C18H22F2N2O2/c19-18(20)6-15(7-18)21-16(23)17-11-22(9-14(17)10-24-12-17)8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,21,23)/t14-,17-/m1/s1
InChIKeyHYMOEVGGNIXCLL-RHSMWYFYSA-N
MW336.38 g/mol
LogP2.05
Rot. Bonds4

About (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97422366) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97422366
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name(3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C18H22F2N2O2/c19-18(20)6-15(7-18)21-16(23)17-11-22(9-14(17)10-24-12-17)8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,21,23)/t14-,17-/m1/s1
InChIKeyHYMOEVGGNIXCLL-RHSMWYFYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanecarboxamide
CID 97420640
N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide
CID 97420654
N-[[(3aR,6aR)-5-[(2-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide
CID 97420655
(3S,4S)-N-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203729
N-Cyclopropyl-1-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203732
N-Cyclopropyl-4-(methoxymethyl)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide
CID 110203733
N-Cyclopropyl-1-[(2,5-difluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203736
N-Cyclopropyl-4-(methoxymethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 110203737
N-Cyclopropyl-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203738
(3aR,6aS)-5-[(3-fluorophenyl)methyl]-2-(oxolane-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 118740803
1-(methoxymethyl)-N-{5-oxo-1-[2-(trifluoromethyl)benzyl]pyrrolidin-3-yl}cyclobutanecarboxamide
CID 56907965
(3aR,6R,6aS)-4-[(2,3-difluorophenyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 125245502

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97422366) is (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is O=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is HYMOEVGGNIXCLL-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-18(20)6-15(7-18)21-16(23)17-11-22(9-14(17)10-24-12-17)8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,21,23)/t14-,17-/m1/s1.
What are the key properties of (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97422366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).