N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide

C9H15ClN2O — CID 165463592

IUPACN-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide
SMILESO=C(CCl)NC1CC2CNC(C2)C1
InChIInChI=1S/C9H15ClN2O/c10-4-9(13)12-8-2-6-1-7(3-8)11-5-6/h6-8,11H,1-5H2,(H,12,13)
InChIKeyLSZHCMFASYPEDB-UHFFFAOYSA-N
MW202.68 g/mol
LogP0.48
Rot. Bonds2

About N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide

N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide (PubChem CID 165463592) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide
PubChem CID165463592
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC NameN-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide
SMILESO=C(CCl)NC1CC2CNC(C2)C1
InChIInChI=1S/C9H15ClN2O/c10-4-9(13)12-8-2-6-1-7(3-8)11-5-6/h6-8,11H,1-5H2,(H,12,13)
InChIKeyLSZHCMFASYPEDB-UHFFFAOYSA-N
XLogP0.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.48
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

4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
CID 165463588
methyl 2-(6-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoacetate
CID 165463590
1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea
CID 165463568
2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 165477009
2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
CID 159210757
N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide
CID 165463594
N-methyl-6-azabicyclo[3.2.1]octan-3-amine
CID 171036183
N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165469238
2-chloro-N-cyclododecylacetamide
CID 4285747
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
2-chloro-N-(1-ethylazetidin-3-yl)acetamide
CID 126997562
2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide
CID 178190561

Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide (CID 165463592) is N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide is O=C(CCl)NC1CC2CNC(C2)C1.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide?
The InChIKey is LSZHCMFASYPEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c10-4-9(13)12-8-2-6-1-7(3-8)11-5-6/h6-8,11H,1-5H2,(H,12,13).
What are the key properties of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide?
N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide has a molecular weight of 202.68 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide is sourced from PubChem (CID 165463592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).