2-amino-4,4-dichloro-3-oxobutanamide

C4H6Cl2N2O2 — CID 152757746

IUPAC2-amino-4,4-dichloro-3-oxobutanamide
SMILESNC(=O)C(N)C(=O)C(Cl)Cl
InChIInChI=1S/C4H6Cl2N2O2/c5-3(6)2(9)1(7)4(8)10/h1,3H,7H2,(H2,8,10)
InChIKeyQBBQZQIYCJEEKL-UHFFFAOYSA-N
MW185.01 g/mol
LogP-0.83
Rot. Bonds3

About 2-amino-4,4-dichloro-3-oxobutanamide

2-amino-4,4-dichloro-3-oxobutanamide (PubChem CID 152757746) has the molecular formula C4H6Cl2N2O2 and a molecular weight of 185.01 g/mol. Its IUPAC name is 2-amino-4,4-dichloro-3-oxobutanamide.

Molecular Properties

Compound Name2-amino-4,4-dichloro-3-oxobutanamide
PubChem CID152757746
Molecular FormulaC4H6Cl2N2O2
Molecular Weight185.01 g/mol
Exact Mass183.98
IUPAC Name2-amino-4,4-dichloro-3-oxobutanamide
SMILESNC(=O)C(N)C(=O)C(Cl)Cl
InChIInChI=1S/C4H6Cl2N2O2/c5-3(6)2(9)1(7)4(8)10/h1,3H,7H2,(H2,8,10)
InChIKeyQBBQZQIYCJEEKL-UHFFFAOYSA-N
XLogP-0.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.01
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-4,4-dichloro-3-oxobutanamide?
The IUPAC name of 2-amino-4,4-dichloro-3-oxobutanamide (CID 152757746) is 2-amino-4,4-dichloro-3-oxobutanamide.
What is the SMILES notation for 2-amino-4,4-dichloro-3-oxobutanamide?
The canonical SMILES for 2-amino-4,4-dichloro-3-oxobutanamide is NC(=O)C(N)C(=O)C(Cl)Cl.
What is the InChIKey of 2-amino-4,4-dichloro-3-oxobutanamide?
The InChIKey is QBBQZQIYCJEEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2N2O2/c5-3(6)2(9)1(7)4(8)10/h1,3H,7H2,(H2,8,10).
What are the key properties of 2-amino-4,4-dichloro-3-oxobutanamide?
2-amino-4,4-dichloro-3-oxobutanamide has a molecular weight of 185.01 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dichloro-3-oxobutanamide is sourced from PubChem (CID 152757746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).