N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide

C13H21ClN2O2 — CID 108514035

IUPACN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCCl)C1CC2CCC1C2
InChIInChI=1S/C13H21ClN2O2/c1-8(11-7-9-2-3-10(11)6-9)16-13(18)12(17)15-5-4-14/h8-11H,2-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyBWFALYAHOAZJGR-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.28
Rot. Bonds4

About N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide

N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide (PubChem CID 108514035) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide
PubChem CID108514035
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCCl)C1CC2CCC1C2
InChIInChI=1S/C13H21ClN2O2/c1-8(11-7-9-2-3-10(11)6-9)16-13(18)12(17)15-5-4-14/h8-11H,2-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyBWFALYAHOAZJGR-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methylbutyl)oxamide
CID 108532529
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504925
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524378
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide
CID 108524735
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
CID 108508984
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]propanoic acid
CID 16784459
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide?
The IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide (CID 108514035) is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide.
What is the SMILES notation for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide?
The canonical SMILES for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide is CC(NC(=O)C(=O)NCCCl)C1CC2CCC1C2.
What is the InChIKey of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide?
The InChIKey is BWFALYAHOAZJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-8(11-7-9-2-3-10(11)6-9)16-13(18)12(17)15-5-4-14/h8-11H,2-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide?
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide has a molecular weight of 272.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide is sourced from PubChem (CID 108514035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).