N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide

C17H20F2N2O2 — CID 167899844

IUPACN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC[C@]12CCC[C@H]1OCC2)N1CCc2c(F)ccc(F)c21
InChIInChI=1S/C17H20F2N2O2/c18-12-3-4-13(19)15-11(12)5-8-21(15)16(22)20-10-17-6-1-2-14(17)23-9-7-17/h3-4,14H,1-2,5-10H2,(H,20,22)/t14-,17-/m1/s1
InChIKeyFGZVXFGPWYKBIL-RHSMWYFYSA-N
MW322.36 g/mol
LogP3.00
Rot. Bonds2

About N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide

N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide (PubChem CID 167899844) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide
PubChem CID167899844
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC[C@]12CCC[C@H]1OCC2)N1CCc2c(F)ccc(F)c21
InChIInChI=1S/C17H20F2N2O2/c18-12-3-4-13(19)15-11(12)5-8-21(15)16(22)20-10-17-6-1-2-14(17)23-9-7-17/h3-4,14H,1-2,5-10H2,(H,20,22)/t14-,17-/m1/s1
InChIKeyFGZVXFGPWYKBIL-RHSMWYFYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide (CID 167899844) is N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide is O=C(NC[C@]12CCC[C@H]1OCC2)N1CCc2c(F)ccc(F)c21.
What is the InChIKey of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide?
The InChIKey is FGZVXFGPWYKBIL-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-12-3-4-13(19)15-11(12)5-8-21(15)16(22)20-10-17-6-1-2-14(17)23-9-7-17/h3-4,14H,1-2,5-10H2,(H,20,22)/t14-,17-/m1/s1.
What are the key properties of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide?
N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 167899844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).