5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide

C20H23F2N3O — CID 139983320

IUPAC5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2ccc(-c3c(F)cccc3F)n2C)C2CCN1CC2
InChIInChI=1S/C20H23F2N3O/c1-12-19(13-8-10-25(12)11-9-13)23-20(26)17-7-6-16(24(17)2)18-14(21)4-3-5-15(18)22/h3-7,12-13,19H,8-11H2,1-2H3,(H,23,26)/t12-,19+/m1/s1
InChIKeyRZMHHAAWMMZFRF-BLVKFPJESA-N
MW359.42 g/mol
LogP3.18
Rot. Bonds3

About 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide

5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide (PubChem CID 139983320) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide
PubChem CID139983320
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2ccc(-c3c(F)cccc3F)n2C)C2CCN1CC2
InChIInChI=1S/C20H23F2N3O/c1-12-19(13-8-10-25(12)11-9-13)23-20(26)17-7-6-16(24(17)2)18-14(21)4-3-5-15(18)22/h3-7,12-13,19H,8-11H2,1-2H3,(H,23,26)/t12-,19+/m1/s1
InChIKeyRZMHHAAWMMZFRF-BLVKFPJESA-N
XLogP3.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-(3-fluoro-2-pyridinyl)-1-methyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide
CID 18337350
5-(2-fluoro-3-pyridinyl)-1-methyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide
CID 18337387
4-(4-fluorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383576
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-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
CID 10062163
4-(4-acetylphenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897021
5-(3-amino-2-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18181888
5-(3-fluorophenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-1,3-oxazole-2-carboxamide
CID 70024606
4-(3-acetamidophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383586
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
CID 18180659
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide
CID 18181175

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide (CID 139983320) is 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide is C[C@@H]1[C@H](NC(=O)c2ccc(-c3c(F)cccc3F)n2C)C2CCN1CC2.
What is the InChIKey of 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide?
The InChIKey is RZMHHAAWMMZFRF-BLVKFPJESA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-12-19(13-8-10-25(12)11-9-13)23-20(26)17-7-6-16(24(17)2)18-14(21)4-3-5-15(18)22/h3-7,12-13,19H,8-11H2,1-2H3,(H,23,26)/t12-,19+/m1/s1.
What are the key properties of 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide?
5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1-methyl-N-[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 139983320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).