N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide

C6H12ClN3O2 — CID 20806745

IUPACN-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide
SMILESNCCNC(=O)CNC(=O)CCl
InChIInChI=1S/C6H12ClN3O2/c7-3-5(11)10-4-6(12)9-2-1-8/h1-4,8H2,(H,9,12)(H,10,11)
InChIKeyGIRBYDHETODLPK-UHFFFAOYSA-N
MW193.63 g/mol
LogP-1.58
Rot. Bonds5

About N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide

N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide (PubChem CID 20806745) has the molecular formula C6H12ClN3O2 and a molecular weight of 193.63 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide
PubChem CID20806745
Molecular FormulaC6H12ClN3O2
Molecular Weight193.63 g/mol
Exact Mass193.06
IUPAC NameN-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide
SMILESNCCNC(=O)CNC(=O)CCl
InChIInChI=1S/C6H12ClN3O2/c7-3-5(11)10-4-6(12)9-2-1-8/h1-4,8H2,(H,9,12)(H,10,11)
InChIKeyGIRBYDHETODLPK-UHFFFAOYSA-N
XLogP-1.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
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-[(2-chloroacetyl)amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide (CID 20806745) is N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide is NCCNC(=O)CNC(=O)CCl.
What is the InChIKey of N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide?
The InChIKey is GIRBYDHETODLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClN3O2/c7-3-5(11)10-4-6(12)9-2-1-8/h1-4,8H2,(H,9,12)(H,10,11).
What are the key properties of N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide?
N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide has a molecular weight of 193.63 g/mol, XLogP of -1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide is sourced from PubChem (CID 20806745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).