2-chloro-N-(ethylcarbamoyl)acetamide

C5H9ClN2O2 — CID 2304790

IUPAC2-chloro-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c1-2-7-5(10)8-4(9)3-6/h2-3H2,1H3,(H2,7,8,9,10)
InChIKeyBPSCQIPXTHOTMA-UHFFFAOYSA-N
MW164.59 g/mol
LogP0.07
Rot. Bonds2

About 2-chloro-N-(ethylcarbamoyl)acetamide

2-chloro-N-(ethylcarbamoyl)acetamide (PubChem CID 2304790) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 2-chloro-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(ethylcarbamoyl)acetamide
PubChem CID2304790
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Name2-chloro-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c1-2-7-5(10)8-4(9)3-6/h2-3H2,1H3,(H2,7,8,9,10)
InChIKeyBPSCQIPXTHOTMA-UHFFFAOYSA-N
XLogP0.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 50.07
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-ethylacetamide;hydrochloride
CID 141251564
1,3-bis(ethylcarbamoyl)urea
CID 134915369
N-(ethylcarbamoyl)-2-(methylamino)acetamide
CID 130743896
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
N-[2-(carbamoylamino)ethylcarbamoyl]-2-chloroacetamide
CID 83114145
1,3-diethylurea;ethane
CID 142885504
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
CID 61461806
N-acetyl-2-chloroacetamide
CID 2366697
2-chloro-N-[(4-methylcyclohexyl)methylcarbamoyl]acetamide
CID 63244328
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
CID 62848521
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
CID 60856052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(ethylcarbamoyl)acetamide (CID 2304790) is 2-chloro-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(ethylcarbamoyl)acetamide?
The InChIKey is BPSCQIPXTHOTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O2/c1-2-7-5(10)8-4(9)3-6/h2-3H2,1H3,(H2,7,8,9,10).
What are the key properties of 2-chloro-N-(ethylcarbamoyl)acetamide?
2-chloro-N-(ethylcarbamoyl)acetamide has a molecular weight of 164.59 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 2304790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).