N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide

C18H20N2O2 — CID 15978646

IUPACN-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3N4)o2)cc1
InChIInChI=1S/C18H20N2O2/c1-11-2-4-12(5-3-11)16-8-9-17(22-16)18(21)20-15-10-13-6-7-14(15)19-13/h2-5,8-9,13-15,19H,6-7,10H2,1H3,(H,20,21)/t13-,14-,15+/m0/s1
InChIKeyGJQVLSBGDFMBNV-SOUVJXGZSA-N
MW296.37 g/mol
LogP2.88
Rot. Bonds3

About N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide

N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide (PubChem CID 15978646) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
PubChem CID15978646
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3N4)o2)cc1
InChIInChI=1S/C18H20N2O2/c1-11-2-4-12(5-3-11)16-8-9-17(22-16)18(21)20-15-10-13-6-7-14(15)19-13/h2-5,8-9,13-15,19H,6-7,10H2,1H3,(H,20,21)/t13-,14-,15+/m0/s1
InChIKeyGJQVLSBGDFMBNV-SOUVJXGZSA-N
XLogP2.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 70026440
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-[3-(furan-2-yl)phenyl]furan-2-carboxamide
CID 70025706

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide (CID 15978646) is N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3N4)o2)cc1.
What is the InChIKey of N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is GJQVLSBGDFMBNV-SOUVJXGZSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-2-4-12(5-3-11)16-8-9-17(22-16)18(21)20-15-10-13-6-7-14(15)19-13/h2-5,8-9,13-15,19H,6-7,10H2,1H3,(H,20,21)/t13-,14-,15+/m0/s1.
What are the key properties of N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide?
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 15978646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).