2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide

C11H18BrNO2 — CID 98989522

IUPAC2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC(N)=O)C2
InChIInChI=1S/C11H18BrNO2/c1-9(2)8(15)11(12)4-3-10(9,6-11)5-7(13)14/h8,15H,3-6H2,1-2H3,(H2,13,14)/t8-,10-,11-/m1/s1
InChIKeyFNKWLCQOALFTDB-FBIMIBRVSA-N
MW276.17 g/mol
LogP1.57
Rot. Bonds2

About 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide

2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 98989522) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID98989522
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC(N)=O)C2
InChIInChI=1S/C11H18BrNO2/c1-9(2)8(15)11(12)4-3-10(9,6-11)5-7(13)14/h8,15H,3-6H2,1-2H3,(H2,13,14)/t8-,10-,11-/m1/s1
InChIKeyFNKWLCQOALFTDB-FBIMIBRVSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 13039165
2-(1-ethylcyclopropyl)acetamide
CID 67691253
ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
CID 145029599
2-(4-methyloxan-4-yl)acetamide
CID 137499101
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
CID 126819028
2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide
CID 174448310
2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid
CID 70955898
2-(1-amino-3,3-difluorocyclobutyl)acetamide
CID 90202766
4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
CID 166722696
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
3,3-dimethylcyclopentane-1-carboxamide
CID 58806265
2-(4-aminopiperidin-4-yl)acetamide
CID 83682139

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide (CID 98989522) is 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide is CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC(N)=O)C2.
What is the InChIKey of 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is FNKWLCQOALFTDB-FBIMIBRVSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-9(2)8(15)11(12)4-3-10(9,6-11)5-7(13)14/h8,15H,3-6H2,1-2H3,(H2,13,14)/t8-,10-,11-/m1/s1.
What are the key properties of 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide?
2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 276.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,4R)-4-bromo-3-hydroxy-2,2-dimethyl-1-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 98989522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).