N-tert-butyl-2-chloro-N-hydroxyacetamide

C6H12ClNO2 — CID 55301103

IUPACN-tert-butyl-2-chloro-N-hydroxyacetamide
SMILESCC(C)(C)N(O)C(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-6(2,3)8(10)5(9)4-7/h10H,4H2,1-3H3
InChIKeyIQYJSWRASAQEPJ-UHFFFAOYSA-N
MW165.62 g/mol
LogP1.24
Rot. Bonds1

About N-tert-butyl-2-chloro-N-hydroxyacetamide

N-tert-butyl-2-chloro-N-hydroxyacetamide (PubChem CID 55301103) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N-hydroxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N-hydroxyacetamide
PubChem CID55301103
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC NameN-tert-butyl-2-chloro-N-hydroxyacetamide
SMILESCC(C)(C)N(O)C(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-6(2,3)8(10)5(9)4-7/h10H,4H2,1-3H3
InChIKeyIQYJSWRASAQEPJ-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-N-hydroxyacetamide?
The IUPAC name of N-tert-butyl-2-chloro-N-hydroxyacetamide (CID 55301103) is N-tert-butyl-2-chloro-N-hydroxyacetamide.
What is the SMILES notation for N-tert-butyl-2-chloro-N-hydroxyacetamide?
The canonical SMILES for N-tert-butyl-2-chloro-N-hydroxyacetamide is CC(C)(C)N(O)C(=O)CCl.
What is the InChIKey of N-tert-butyl-2-chloro-N-hydroxyacetamide?
The InChIKey is IQYJSWRASAQEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-6(2,3)8(10)5(9)4-7/h10H,4H2,1-3H3.
What are the key properties of N-tert-butyl-2-chloro-N-hydroxyacetamide?
N-tert-butyl-2-chloro-N-hydroxyacetamide has a molecular weight of 165.62 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-N-hydroxyacetamide is sourced from PubChem (CID 55301103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).