N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide

C6H10Cl2N2O2 — CID 88689561

IUPACN-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide
SMILESNCCN(C(=O)CCl)C(=O)CCl
InChIInChI=1S/C6H10Cl2N2O2/c7-3-5(11)10(2-1-9)6(12)4-8/h1-4,9H2
InChIKeyKJIZHULENNNVJU-UHFFFAOYSA-N
MW213.06 g/mol
LogP-0.22
Rot. Bonds4

About N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide

N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide (PubChem CID 88689561) has the molecular formula C6H10Cl2N2O2 and a molecular weight of 213.06 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide
PubChem CID88689561
Molecular FormulaC6H10Cl2N2O2
Molecular Weight213.06 g/mol
Exact Mass212.01
IUPAC NameN-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide
SMILESNCCN(C(=O)CCl)C(=O)CCl
InChIInChI=1S/C6H10Cl2N2O2/c7-3-5(11)10(2-1-9)6(12)4-8/h1-4,9H2
InChIKeyKJIZHULENNNVJU-UHFFFAOYSA-N
XLogP-0.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide (CID 88689561) is N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide is NCCN(C(=O)CCl)C(=O)CCl.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide?
The InChIKey is KJIZHULENNNVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2N2O2/c7-3-5(11)10(2-1-9)6(12)4-8/h1-4,9H2.
What are the key properties of N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide?
N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide has a molecular weight of 213.06 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-N-(2-chloroacetyl)acetamide is sourced from PubChem (CID 88689561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).