2-chloro-N-(cyclohexylcarbamoyl)acetamide

C9H15ClN2O2 — CID 2424051

IUPAC2-chloro-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NC1CCCCC1
InChIInChI=1S/C9H15ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14)
InChIKeyAJYLCYFEYRUYOG-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.38
Rot. Bonds2

About 2-chloro-N-(cyclohexylcarbamoyl)acetamide

2-chloro-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 2424051) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylcarbamoyl)acetamide
PubChem CID2424051
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name2-chloro-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NC1CCCCC1
InChIInChI=1S/C9H15ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14)
InChIKeyAJYLCYFEYRUYOG-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.38
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-(cyclooctylcarbamoyl)acetamide
CID 43146080
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-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
CID 64742950
2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 7042972
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-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(cyclohexylcarbamoyl)acetamide (CID 2424051) is 2-chloro-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(cyclohexylcarbamoyl)acetamide is O=C(CCl)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is AJYLCYFEYRUYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-(cyclohexylcarbamoyl)acetamide?
2-chloro-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 218.68 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 2424051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).