N-(2-amino-2-oxoethyl)-3-chloropropanamide

C5H9ClN2O2 — CID 16789120

IUPACN-(2-amino-2-oxoethyl)-3-chloropropanamide
SMILESNC(=O)CNC(=O)CCCl
InChIInChI=1S/C5H9ClN2O2/c6-2-1-5(10)8-3-4(7)9/h1-3H2,(H2,7,9)(H,8,10)
InChIKeyKVXRSJFGDQRKPY-UHFFFAOYSA-N
MW164.59 g/mol
LogP-0.78
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-chloropropanamide

N-(2-amino-2-oxoethyl)-3-chloropropanamide (PubChem CID 16789120) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chloropropanamide
PubChem CID16789120
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC NameN-(2-amino-2-oxoethyl)-3-chloropropanamide
SMILESNC(=O)CNC(=O)CCCl
InChIInChI=1S/C5H9ClN2O2/c6-2-1-5(10)8-3-4(7)9/h1-3H2,(H2,7,9)(H,8,10)
InChIKeyKVXRSJFGDQRKPY-UHFFFAOYSA-N
XLogP-0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-2-oxoethyl)-3-chloropropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chloropropanamide (CID 16789120) is N-(2-amino-2-oxoethyl)-3-chloropropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chloropropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chloropropanamide is NC(=O)CNC(=O)CCCl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chloropropanamide?
The InChIKey is KVXRSJFGDQRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O2/c6-2-1-5(10)8-3-4(7)9/h1-3H2,(H2,7,9)(H,8,10).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chloropropanamide?
N-(2-amino-2-oxoethyl)-3-chloropropanamide has a molecular weight of 164.59 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-chloropropanamide is sourced from PubChem (CID 16789120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).