N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide

C9H14ClNO — CID 14619230

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
SMILESO=C(CCl)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H14ClNO/c10-5-9(12)11-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,11,12)/t6-,7+,8+/m0/s1
InChIKeyANWMKVWXYLYWNJ-XLPZGREQSA-N
MW187.67 g/mol
LogP1.53
Rot. Bonds2

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide (PubChem CID 14619230) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
PubChem CID14619230
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
SMILESO=C(CCl)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H14ClNO/c10-5-9(12)11-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,11,12)/t6-,7+,8+/m0/s1
InChIKeyANWMKVWXYLYWNJ-XLPZGREQSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[2-[2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 98393025
N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24845342
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083134
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98387776
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083131
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide
CID 3064442

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide (CID 14619230) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide is O=C(CCl)N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide?
The InChIKey is ANWMKVWXYLYWNJ-XLPZGREQSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-5-9(12)11-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,11,12)/t6-,7+,8+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide has a molecular weight of 187.67 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide is sourced from PubChem (CID 14619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).