2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide

C16H19F2NO2 — CID 18532249

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H19F2NO2/c17-16(18)21-14-4-2-1-3-13(14)19-15(20)9-12-8-10-5-6-11(12)7-10/h1-4,10-12,16H,5-9H2,(H,19,20)/t10-,11-,12-/m1/s1
InChIKeyFNRZPLHJEZQMDB-IJLUTSLNSA-N
MW295.33 g/mol
LogP4.05
Rot. Bonds5

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 18532249) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID18532249
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H19F2NO2/c17-16(18)21-14-4-2-1-3-13(14)19-15(20)9-12-8-10-5-6-11(12)7-10/h1-4,10-12,16H,5-9H2,(H,19,20)/t10-,11-,12-/m1/s1
InChIKeyFNRZPLHJEZQMDB-IJLUTSLNSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
CID 18556276
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11903345
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 18557353
N-[4-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 18558158
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7769996
N-(2-amino-5-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63256940
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 18532249) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is FNRZPLHJEZQMDB-IJLUTSLNSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-16(18)21-14-4-2-1-3-13(14)19-15(20)9-12-8-10-5-6-11(12)7-10/h1-4,10-12,16H,5-9H2,(H,19,20)/t10-,11-,12-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 295.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 18532249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).