2-chloro-N-(cyclooctylcarbamoyl)acetamide

C11H19ClN2O2 — CID 43146080

IUPAC2-chloro-N-(cyclooctylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NC1CCCCCCC1
InChIInChI=1S/C11H19ClN2O2/c12-8-10(15)14-11(16)13-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,13,14,15,16)
InChIKeyJOCGZITYJTWHLJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-N-(cyclooctylcarbamoyl)acetamide

2-chloro-N-(cyclooctylcarbamoyl)acetamide (PubChem CID 43146080) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N-(cyclooctylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclooctylcarbamoyl)acetamide
PubChem CID43146080
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name2-chloro-N-(cyclooctylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NC1CCCCCCC1
InChIInChI=1S/C11H19ClN2O2/c12-8-10(15)14-11(16)13-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,13,14,15,16)
InChIKeyJOCGZITYJTWHLJ-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.16
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-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
2-chloro-N-cyclododecylacetamide
CID 4285747
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
CID 9265087
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(cyclohexylcarbamoyl)-2-cyclohexylsulfanylacetamide
CID 8705522
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 7042972
2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
CID 64742950
1-cyclobutyl-3-cyclohexylurea
CID 17217147
4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65300229
3-chloro-N-cycloheptylpropanamide
CID 5152151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclooctylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(cyclooctylcarbamoyl)acetamide (CID 43146080) is 2-chloro-N-(cyclooctylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(cyclooctylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(cyclooctylcarbamoyl)acetamide is O=C(CCl)NC(=O)NC1CCCCCCC1.
What is the InChIKey of 2-chloro-N-(cyclooctylcarbamoyl)acetamide?
The InChIKey is JOCGZITYJTWHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c12-8-10(15)14-11(16)13-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-(cyclooctylcarbamoyl)acetamide?
2-chloro-N-(cyclooctylcarbamoyl)acetamide has a molecular weight of 246.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclooctylcarbamoyl)acetamide is sourced from PubChem (CID 43146080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).