2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide

C6H6Cl2N4O3 — CID 555636

IUPAC2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESO=C(CCl)Nc1nonc1NC(=O)CCl
InChIInChI=1S/C6H6Cl2N4O3/c7-1-3(13)9-5-6(12-15-11-5)10-4(14)2-8/h1-2H2,(H,9,11,13)(H,10,12,14)
InChIKeyGCUTXDUNVVYCKK-UHFFFAOYSA-N
MW253.04 g/mol
LogP0.42
Rot. Bonds4

About 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide

2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 555636) has the molecular formula C6H6Cl2N4O3 and a molecular weight of 253.04 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID555636
Molecular FormulaC6H6Cl2N4O3
Molecular Weight253.04 g/mol
Exact Mass251.98
IUPAC Name2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESO=C(CCl)Nc1nonc1NC(=O)CCl
InChIInChI=1S/C6H6Cl2N4O3/c7-1-3(13)9-5-6(12-15-11-5)10-4(14)2-8/h1-2H2,(H,9,11,13)(H,10,12,14)
InChIKeyGCUTXDUNVVYCKK-UHFFFAOYSA-N
XLogP0.42
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide (CID 555636) is 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide is O=C(CCl)Nc1nonc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is GCUTXDUNVVYCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4O3/c7-1-3(13)9-5-6(12-15-11-5)10-4(14)2-8/h1-2H2,(H,9,11,13)(H,10,12,14).
What are the key properties of 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 253.04 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2-chloroacetyl)amino]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 555636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).