N-(chloromethyl)-N-ethoxyacetamide

C5H10ClNO2 — CID 134936676

IUPACN-(chloromethyl)-N-ethoxyacetamide
SMILESCCON(CCl)C(C)=O
InChIInChI=1S/C5H10ClNO2/c1-3-9-7(4-6)5(2)8/h3-4H2,1-2H3
InChIKeyBHNHNPUHSBDPJZ-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.98
Rot. Bonds3

About N-(chloromethyl)-N-ethoxyacetamide

N-(chloromethyl)-N-ethoxyacetamide (PubChem CID 134936676) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is N-(chloromethyl)-N-ethoxyacetamide.

Molecular Properties

Compound NameN-(chloromethyl)-N-ethoxyacetamide
PubChem CID134936676
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC NameN-(chloromethyl)-N-ethoxyacetamide
SMILESCCON(CCl)C(C)=O
InChIInChI=1S/C5H10ClNO2/c1-3-9-7(4-6)5(2)8/h3-4H2,1-2H3
InChIKeyBHNHNPUHSBDPJZ-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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-(chloromethyl)-N-ethoxyacetamide?
The IUPAC name of N-(chloromethyl)-N-ethoxyacetamide (CID 134936676) is N-(chloromethyl)-N-ethoxyacetamide.
What is the SMILES notation for N-(chloromethyl)-N-ethoxyacetamide?
The canonical SMILES for N-(chloromethyl)-N-ethoxyacetamide is CCON(CCl)C(C)=O.
What is the InChIKey of N-(chloromethyl)-N-ethoxyacetamide?
The InChIKey is BHNHNPUHSBDPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2/c1-3-9-7(4-6)5(2)8/h3-4H2,1-2H3.
What are the key properties of N-(chloromethyl)-N-ethoxyacetamide?
N-(chloromethyl)-N-ethoxyacetamide has a molecular weight of 151.59 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-ethoxyacetamide is sourced from PubChem (CID 134936676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).