N-(2-amino-2-oxoethyl)-4-chlorobutanamide

C6H11ClN2O2 — CID 14419005

IUPACN-(2-amino-2-oxoethyl)-4-chlorobutanamide
SMILESNC(=O)CNC(=O)CCCCl
InChIInChI=1S/C6H11ClN2O2/c7-3-1-2-6(11)9-4-5(8)10/h1-4H2,(H2,8,10)(H,9,11)
InChIKeyILFDIIJNFWWVNM-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.39
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4-chlorobutanamide

N-(2-amino-2-oxoethyl)-4-chlorobutanamide (PubChem CID 14419005) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-chlorobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-chlorobutanamide
PubChem CID14419005
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC NameN-(2-amino-2-oxoethyl)-4-chlorobutanamide
SMILESNC(=O)CNC(=O)CCCCl
InChIInChI=1S/C6H11ClN2O2/c7-3-1-2-6(11)9-4-5(8)10/h1-4H2,(H2,8,10)(H,9,11)
InChIKeyILFDIIJNFWWVNM-UHFFFAOYSA-N
XLogP-0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.39
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)-4-chlorobutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-chlorobutanamide (CID 14419005) is N-(2-amino-2-oxoethyl)-4-chlorobutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-chlorobutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-chlorobutanamide is NC(=O)CNC(=O)CCCCl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-chlorobutanamide?
The InChIKey is ILFDIIJNFWWVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c7-3-1-2-6(11)9-4-5(8)10/h1-4H2,(H2,8,10)(H,9,11).
What are the key properties of N-(2-amino-2-oxoethyl)-4-chlorobutanamide?
N-(2-amino-2-oxoethyl)-4-chlorobutanamide has a molecular weight of 178.62 g/mol, XLogP of -0.39, 5 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)-4-chlorobutanamide is sourced from PubChem (CID 14419005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).