2-chloro-N-ethyl-N-propylacetamide

C7H14ClNO — CID 13344564

IUPAC2-chloro-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-3-5-9(4-2)7(10)6-8/h3-6H2,1-2H3
InChIKeyQYCUBRKBUVRFKJ-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.48
Rot. Bonds4

About 2-chloro-N-ethyl-N-propylacetamide

2-chloro-N-ethyl-N-propylacetamide (PubChem CID 13344564) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-propylacetamide
PubChem CID13344564
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-chloro-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-3-5-9(4-2)7(10)6-8/h3-6H2,1-2H3
InChIKeyQYCUBRKBUVRFKJ-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.48
H-Bond Donors ≤ 50
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 2-chloro-N-ethyl-N-propylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N-propylacetamide (CID 13344564) is 2-chloro-N-ethyl-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-propylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-propylacetamide is CCCN(CC)C(=O)CCl.
What is the InChIKey of 2-chloro-N-ethyl-N-propylacetamide?
The InChIKey is QYCUBRKBUVRFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-5-9(4-2)7(10)6-8/h3-6H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-propylacetamide?
2-chloro-N-ethyl-N-propylacetamide has a molecular weight of 163.65 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-propylacetamide is sourced from PubChem (CID 13344564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).