2-chloro-N-morpholin-4-ylacetamide

C6H11ClN2O2 — CID 3653953

IUPAC2-chloro-N-morpholin-4-ylacetamide
SMILESO=C(CCl)NN1CCOCC1
InChIInChI=1S/C6H11ClN2O2/c7-5-6(10)8-9-1-3-11-4-2-9/h1-5H2,(H,8,10)
InChIKeyDUHHURSGIXSZAA-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.41
Rot. Bonds2

About 2-chloro-N-morpholin-4-ylacetamide

2-chloro-N-morpholin-4-ylacetamide (PubChem CID 3653953) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-morpholin-4-ylacetamide
PubChem CID3653953
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-chloro-N-morpholin-4-ylacetamide
SMILESO=C(CCl)NN1CCOCC1
InChIInChI=1S/C6H11ClN2O2/c7-5-6(10)8-9-1-3-11-4-2-9/h1-5H2,(H,8,10)
InChIKeyDUHHURSGIXSZAA-UHFFFAOYSA-N
XLogP-0.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-morpholin-4-yl-2-sulfanylacetamide
CID 83024350
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide
CID 4586516
N-morpholin-4-yl-2-(propan-2-ylamino)acetamide
CID 83016590
N'-(2-chloroacetyl)-2-morpholin-4-ylacetohydrazide
CID 23544064
2-(2-methoxyethoxy)-N-morpholin-4-ylacetamide
CID 103606655
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
N-morpholin-4-yl-2-oxoacetamide
CID 18449823
N-morpholin-4-yl-2-pyrrolidin-3-ylacetamide
CID 83016127
2-hydrazinyl-N-morpholin-4-yl-2-oxoacetamide
CID 91325671
1,1-dimethyl-3-morpholin-4-ylurea
CID 116657343
3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
CID 83013202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-morpholin-4-ylacetamide?
The IUPAC name of 2-chloro-N-morpholin-4-ylacetamide (CID 3653953) is 2-chloro-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-chloro-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-chloro-N-morpholin-4-ylacetamide is O=C(CCl)NN1CCOCC1.
What is the InChIKey of 2-chloro-N-morpholin-4-ylacetamide?
The InChIKey is DUHHURSGIXSZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c7-5-6(10)8-9-1-3-11-4-2-9/h1-5H2,(H,8,10).
What are the key properties of 2-chloro-N-morpholin-4-ylacetamide?
2-chloro-N-morpholin-4-ylacetamide has a molecular weight of 178.62 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-morpholin-4-ylacetamide is sourced from PubChem (CID 3653953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).