2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide

C6H5Cl2NO4 — CID 131877511

IUPAC2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide
SMILESO=C1C[C@H](NC(=O)C(Cl)Cl)C(=O)O1
InChIInChI=1S/C6H5Cl2NO4/c7-4(8)5(11)9-2-1-3(10)13-6(2)12/h2,4H,1H2,(H,9,11)/t2-/m0/s1
InChIKeySKGIYIDKTOWDDX-REOHCLBHSA-N
MW226.01 g/mol
LogP-0.25
Rot. Bonds2

About 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide

2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide (PubChem CID 131877511) has the molecular formula C6H5Cl2NO4 and a molecular weight of 226.01 g/mol. Its IUPAC name is 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide
PubChem CID131877511
Molecular FormulaC6H5Cl2NO4
Molecular Weight226.01 g/mol
Exact Mass224.96
IUPAC Name2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide
SMILESO=C1C[C@H](NC(=O)C(Cl)Cl)C(=O)O1
InChIInChI=1S/C6H5Cl2NO4/c7-4(8)5(11)9-2-1-3(10)13-6(2)12/h2,4H,1H2,(H,9,11)/t2-/m0/s1
InChIKeySKGIYIDKTOWDDX-REOHCLBHSA-N
XLogP-0.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide (CID 131877511) is 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide is O=C1C[C@H](NC(=O)C(Cl)Cl)C(=O)O1.
What is the InChIKey of 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide?
The InChIKey is SKGIYIDKTOWDDX-REOHCLBHSA-N. The full InChI is InChI=1S/C6H5Cl2NO4/c7-4(8)5(11)9-2-1-3(10)13-6(2)12/h2,4H,1H2,(H,9,11)/t2-/m0/s1.
What are the key properties of 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide?
2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide has a molecular weight of 226.01 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(3S)-2,5-dioxooxolan-3-yl]acetamide is sourced from PubChem (CID 131877511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).