2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide

C8H15ClN2O2 — CID 4962571

IUPAC2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-6(2)10-7(12)5-11(3)8(13)4-9/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyRQESPRDCCIPYHP-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.21
Rot. Bonds4

About 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide

2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 4962571) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide
PubChem CID4962571
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-6(2)10-7(12)5-11(3)8(13)4-9/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyRQESPRDCCIPYHP-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.21
H-Bond Donors ≤ 51
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 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide (CID 4962571) is 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is RQESPRDCCIPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-6(2)10-7(12)5-11(3)8(13)4-9/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide?
2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 206.67 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 4962571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).