5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

C20H22F2N2O3 — CID 19453314

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1ccc(COc3ccc(F)cc3F)o1)C2
InChIInChI=1S/C20H22F2N2O3/c1-24-14-3-4-15(24)10-13(9-14)23-20(25)19-7-5-16(27-19)11-26-18-6-2-12(21)8-17(18)22/h2,5-8,13-15H,3-4,9-11H2,1H3,(H,23,25)
InChIKeyKFTBGIAPIPTUNA-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.49
Rot. Bonds5

About 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (PubChem CID 19453314) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
PubChem CID19453314
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1ccc(COc3ccc(F)cc3F)o1)C2
InChIInChI=1S/C20H22F2N2O3/c1-24-14-3-4-15(24)10-13(9-14)23-20(25)19-7-5-16(27-19)11-26-18-6-2-12(21)8-17(18)22/h2,5-8,13-15H,3-4,9-11H2,1H3,(H,23,25)
InChIKeyKFTBGIAPIPTUNA-UHFFFAOYSA-N
XLogP3.49
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453107
5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19457564
5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19455341
5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19446237
N-[1-(1-adamantyl)propan-2-ylideneamino]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 3461184
5-[(2,4-difluorophenoxy)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35336375
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19457527
5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19453151
5-[(2,4-difluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 4865246
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19453273
(6S,7S)-3-(acetyloxymethyl)-7-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 41067960
(6S,7R)-3-(acetyloxymethyl)-7-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 41067956

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (CID 19453314) is 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is CN1C2CCC1CC(NC(=O)c1ccc(COc3ccc(F)cc3F)o1)C2.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
The InChIKey is KFTBGIAPIPTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-24-14-3-4-15(24)10-13(9-14)23-20(25)19-7-5-16(27-19)11-26-18-6-2-12(21)8-17(18)22/h2,5-8,13-15H,3-4,9-11H2,1H3,(H,23,25).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 19453314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).