N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane

C18H20FIN2O2 — CID 161354262

IUPACN-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
SMILESCI.O=C(N[C@@H]1CC2CCC1N2)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H17FN2O2.CH3I/c18-11-3-1-10(2-4-11)15-7-8-16(22-15)17(21)20-14-9-12-5-6-13(14)19-12;1-2/h1-4,7-8,12-14,19H,5-6,9H2,(H,20,21);1H3/t12?,13?,14-;/m1./s1
InChIKeyVOIDVAPGZSXQGS-YLIRPONSSA-N
MW442.27 g/mol
LogP3.76
Rot. Bonds3

About N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane

N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane (PubChem CID 161354262) has the molecular formula C18H20FIN2O2 and a molecular weight of 442.27 g/mol. Its IUPAC name is N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane.

Molecular Properties

Compound NameN-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
PubChem CID161354262
Molecular FormulaC18H20FIN2O2
Molecular Weight442.27 g/mol
Exact Mass442.06
IUPAC NameN-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
SMILESCI.O=C(N[C@@H]1CC2CCC1N2)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H17FN2O2.CH3I/c18-11-3-1-10(2-4-11)15-7-8-16(22-15)17(21)20-14-9-12-5-6-13(14)19-12;1-2/h1-4,7-8,12-14,19H,5-6,9H2,(H,20,21);1H3/t12?,13?,14-;/m1./s1
InChIKeyVOIDVAPGZSXQGS-YLIRPONSSA-N
XLogP3.76
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 70026205
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[4-(ethylamino)phenyl]furan-2-carboxamide
CID 18535315
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 70028158
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 10131402
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18535759
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-3-ylfuran-2-carboxamide
CID 70027681
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
CID 18535430
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 70026122
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-chloro-3-pyridinyl)furan-2-carboxamide
CID 18535263
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 70026440

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane?
The IUPAC name of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane (CID 161354262) is N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane.
What is the SMILES notation for N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane?
The canonical SMILES for N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane is CI.O=C(N[C@@H]1CC2CCC1N2)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane?
The InChIKey is VOIDVAPGZSXQGS-YLIRPONSSA-N. The full InChI is InChI=1S/C17H17FN2O2.CH3I/c18-11-3-1-10(2-4-11)15-7-8-16(22-15)17(21)20-14-9-12-5-6-13(14)19-12;1-2/h1-4,7-8,12-14,19H,5-6,9H2,(H,20,21);1H3/t12?,13?,14-;/m1./s1.
What are the key properties of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane?
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane has a molecular weight of 442.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane is sourced from PubChem (CID 161354262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).