N,N'-bis(1-chloroprop-2-enyl)oxamide

C8H10Cl2N2O2 — CID 88730231

IUPACN,N'-bis(1-chloroprop-2-enyl)oxamide
SMILESC=CC(Cl)NC(=O)C(=O)NC(Cl)C=C
InChIInChI=1S/C8H10Cl2N2O2/c1-3-5(9)11-7(13)8(14)12-6(10)4-2/h3-6H,1-2H2,(H,11,13)(H,12,14)
InChIKeyGCYFCUBYSOEDCL-UHFFFAOYSA-N
MW237.09 g/mol
LogP0.72
Rot. Bonds4

About N,N'-bis(1-chloroprop-2-enyl)oxamide

N,N'-bis(1-chloroprop-2-enyl)oxamide (PubChem CID 88730231) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is N,N'-bis(1-chloroprop-2-enyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(1-chloroprop-2-enyl)oxamide
PubChem CID88730231
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC NameN,N'-bis(1-chloroprop-2-enyl)oxamide
SMILESC=CC(Cl)NC(=O)C(=O)NC(Cl)C=C
InChIInChI=1S/C8H10Cl2N2O2/c1-3-5(9)11-7(13)8(14)12-6(10)4-2/h3-6H,1-2H2,(H,11,13)(H,12,14)
InChIKeyGCYFCUBYSOEDCL-UHFFFAOYSA-N
XLogP0.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-chloroprop-2-enyl)oxamide?
The IUPAC name of N,N'-bis(1-chloroprop-2-enyl)oxamide (CID 88730231) is N,N'-bis(1-chloroprop-2-enyl)oxamide.
What is the SMILES notation for N,N'-bis(1-chloroprop-2-enyl)oxamide?
The canonical SMILES for N,N'-bis(1-chloroprop-2-enyl)oxamide is C=CC(Cl)NC(=O)C(=O)NC(Cl)C=C.
What is the InChIKey of N,N'-bis(1-chloroprop-2-enyl)oxamide?
The InChIKey is GCYFCUBYSOEDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-3-5(9)11-7(13)8(14)12-6(10)4-2/h3-6H,1-2H2,(H,11,13)(H,12,14).
What are the key properties of N,N'-bis(1-chloroprop-2-enyl)oxamide?
N,N'-bis(1-chloroprop-2-enyl)oxamide has a molecular weight of 237.09 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-chloroprop-2-enyl)oxamide is sourced from PubChem (CID 88730231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).