N-carbamoyl-2-(dichloroamino)acetamide

C3H5Cl2N3O2 — CID 87747728

IUPACN-carbamoyl-2-(dichloroamino)acetamide
SMILESNC(=O)NC(=O)CN(Cl)Cl
InChIInChI=1S/C3H5Cl2N3O2/c4-8(5)1-2(9)7-3(6)10/h1H2,(H3,6,7,9,10)
InChIKeyWUTBDJDRBYRZNQ-UHFFFAOYSA-N
MW186.00 g/mol
LogP-0.21
Rot. Bonds2

About N-carbamoyl-2-(dichloroamino)acetamide

N-carbamoyl-2-(dichloroamino)acetamide (PubChem CID 87747728) has the molecular formula C3H5Cl2N3O2 and a molecular weight of 186.00 g/mol. Its IUPAC name is N-carbamoyl-2-(dichloroamino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(dichloroamino)acetamide
PubChem CID87747728
Molecular FormulaC3H5Cl2N3O2
Molecular Weight186.00 g/mol
Exact Mass184.98
IUPAC NameN-carbamoyl-2-(dichloroamino)acetamide
SMILESNC(=O)NC(=O)CN(Cl)Cl
InChIInChI=1S/C3H5Cl2N3O2/c4-8(5)1-2(9)7-3(6)10/h1H2,(H3,6,7,9,10)
InChIKeyWUTBDJDRBYRZNQ-UHFFFAOYSA-N
XLogP-0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.00
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(dichloroamino)acetamide?
The IUPAC name of N-carbamoyl-2-(dichloroamino)acetamide (CID 87747728) is N-carbamoyl-2-(dichloroamino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(dichloroamino)acetamide?
The canonical SMILES for N-carbamoyl-2-(dichloroamino)acetamide is NC(=O)NC(=O)CN(Cl)Cl.
What is the InChIKey of N-carbamoyl-2-(dichloroamino)acetamide?
The InChIKey is WUTBDJDRBYRZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2N3O2/c4-8(5)1-2(9)7-3(6)10/h1H2,(H3,6,7,9,10).
What are the key properties of N-carbamoyl-2-(dichloroamino)acetamide?
N-carbamoyl-2-(dichloroamino)acetamide has a molecular weight of 186.00 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(dichloroamino)acetamide is sourced from PubChem (CID 87747728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).