N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide

C18H20N2O3 — CID 18535430

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NC2CC3CCC2N3)o1
InChIInChI=1S/C18H20N2O3/c1-22-15-5-3-2-4-12(15)16-8-9-17(23-16)18(21)20-14-10-11-6-7-13(14)19-11/h2-5,8-9,11,13-14,19H,6-7,10H2,1H3,(H,20,21)
InChIKeySQBAAAZQOBGBMQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.58
Rot. Bonds4

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 18535430) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
PubChem CID18535430
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NC2CC3CCC2N3)o1
InChIInChI=1S/C18H20N2O3/c1-22-15-5-3-2-4-12(15)16-8-9-17(23-16)18(21)20-14-10-11-6-7-13(14)19-11/h2-5,8-9,11,13-14,19H,6-7,10H2,1H3,(H,20,21)
InChIKeySQBAAAZQOBGBMQ-UHFFFAOYSA-N
XLogP2.58
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 18534899
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-ethylphenyl)furan-2-carboxamide
CID 70028089
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 70027888
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-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 70026205
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-[4-(ethylamino)phenyl]furan-2-carboxamide
CID 18535315
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-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide (CID 18535430) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide is COc1ccccc1-c1ccc(C(=O)NC2CC3CCC2N3)o1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is SQBAAAZQOBGBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-15-5-3-2-4-12(15)16-8-9-17(23-16)18(21)20-14-10-11-6-7-13(14)19-11/h2-5,8-9,11,13-14,19H,6-7,10H2,1H3,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 18535430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).