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

C15H18INO — CID 18556276

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1I
InChIInChI=1S/C15H18INO/c16-13-3-1-2-4-14(13)17-15(18)9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H,17,18)/t10-,11-,12-/m1/s1
InChIKeyKRFMLHOMHXBERT-IJLUTSLNSA-N
MW355.22 g/mol
LogP4.06
Rot. Bonds3

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

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide (PubChem CID 18556276) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
PubChem CID18556276
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1I
InChIInChI=1S/C15H18INO/c16-13-3-1-2-4-14(13)17-15(18)9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H,17,18)/t10-,11-,12-/m1/s1
InChIKeyKRFMLHOMHXBERT-IJLUTSLNSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 18532249
N-[4-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 18558158
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]acetamide
CID 126801505
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7769996
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 18557378
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide (CID 18556276) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide is O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1I.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide?
The InChIKey is KRFMLHOMHXBERT-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H18INO/c16-13-3-1-2-4-14(13)17-15(18)9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H,17,18)/t10-,11-,12-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide has a molecular weight of 355.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 18556276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).