5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide

C19H21ClN2O3 — CID 18180839

IUPAC5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(Oc3ccccc3Cl)o2)C2CCN1CC2
InChIInChI=1S/C19H21ClN2O3/c1-12-18(13-8-10-22(12)11-9-13)21-19(23)16-6-7-17(25-16)24-15-5-3-2-4-14(15)20/h2-7,12-13,18H,8-11H2,1H3,(H,21,23)
InChIKeyXUDJNYQPOKSNOV-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.94
Rot. Bonds4

About 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide

5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (PubChem CID 18180839) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
PubChem CID18180839
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(Oc3ccccc3Cl)o2)C2CCN1CC2
InChIInChI=1S/C19H21ClN2O3/c1-12-18(13-8-10-22(12)11-9-13)21-19(23)16-6-7-17(25-16)24-15-5-3-2-4-14(15)20/h2-7,12-13,18H,8-11H2,1H3,(H,21,23)
InChIKeyXUDJNYQPOKSNOV-UHFFFAOYSA-N
XLogP3.94
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
CID 18180636
5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18181364
5-(3-amino-2-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18181888
5-(2-chlorophenoxy)furan-2-carboxylic acid
CID 28814727
N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
CID 91938782
5-(4-chloro-2-nitrophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180346
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide
CID 18180731
4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897048
4-(2-methoxyphenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 10177968
4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 19766291
ethane;N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide;N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzenecarbothioamide
CID 158375433
5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 91957682

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (CID 18180839) is 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is CC1C(NC(=O)c2ccc(Oc3ccccc3Cl)o2)C2CCN1CC2.
What is the InChIKey of 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The InChIKey is XUDJNYQPOKSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-18(13-8-10-22(12)11-9-13)21-19(23)16-6-7-17(25-16)24-15-5-3-2-4-14(15)20/h2-7,12-13,18H,8-11H2,1H3,(H,21,23).
What are the key properties of 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 18180839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).