N-(2-chloroethyl)acetamide;chloromethylcyclopropane

C8H15Cl2NO — CID 67602394

IUPACN-(2-chloroethyl)acetamide;chloromethylcyclopropane
SMILESCC(=O)NCCCl.ClCC1CC1
InChIInChI=1S/C4H8ClNO.C4H7Cl/c1-4(7)6-3-2-5;5-3-4-1-2-4/h2-3H2,1H3,(H,6,7);4H,1-3H2
InChIKeyHBRDHIJIBMNDIG-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.00
Rot. Bonds3

About N-(2-chloroethyl)acetamide;chloromethylcyclopropane

N-(2-chloroethyl)acetamide;chloromethylcyclopropane (PubChem CID 67602394) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is N-(2-chloroethyl)acetamide;chloromethylcyclopropane.

Molecular Properties

Compound NameN-(2-chloroethyl)acetamide;chloromethylcyclopropane
PubChem CID67602394
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC NameN-(2-chloroethyl)acetamide;chloromethylcyclopropane
SMILESCC(=O)NCCCl.ClCC1CC1
InChIInChI=1S/C4H8ClNO.C4H7Cl/c1-4(7)6-3-2-5;5-3-4-1-2-4/h2-3H2,1H3,(H,6,7);4H,1-3H2
InChIKeyHBRDHIJIBMNDIG-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chloroethyl)acetamide;chloromethylcyclopropane?
The IUPAC name of N-(2-chloroethyl)acetamide;chloromethylcyclopropane (CID 67602394) is N-(2-chloroethyl)acetamide;chloromethylcyclopropane.
What is the SMILES notation for N-(2-chloroethyl)acetamide;chloromethylcyclopropane?
The canonical SMILES for N-(2-chloroethyl)acetamide;chloromethylcyclopropane is CC(=O)NCCCl.ClCC1CC1.
What is the InChIKey of N-(2-chloroethyl)acetamide;chloromethylcyclopropane?
The InChIKey is HBRDHIJIBMNDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO.C4H7Cl/c1-4(7)6-3-2-5;5-3-4-1-2-4/h2-3H2,1H3,(H,6,7);4H,1-3H2.
What are the key properties of N-(2-chloroethyl)acetamide;chloromethylcyclopropane?
N-(2-chloroethyl)acetamide;chloromethylcyclopropane has a molecular weight of 212.12 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)acetamide;chloromethylcyclopropane is sourced from PubChem (CID 67602394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).