3-chloro-N-(2-methoxyethyl)propanamide

C6H12ClNO2 — CID 5184265

IUPAC3-chloro-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCCl
InChIInChI=1S/C6H12ClNO2/c1-10-5-4-8-6(9)2-3-7/h2-5H2,1H3,(H,8,9)
InChIKeySYSHWLWOJPSAKO-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.38
Rot. Bonds5

About 3-chloro-N-(2-methoxyethyl)propanamide

3-chloro-N-(2-methoxyethyl)propanamide (PubChem CID 5184265) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)propanamide
PubChem CID5184265
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name3-chloro-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCCl
InChIInChI=1S/C6H12ClNO2/c1-10-5-4-8-6(9)2-3-7/h2-5H2,1H3,(H,8,9)
InChIKeySYSHWLWOJPSAKO-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)propanamide (CID 5184265) is 3-chloro-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)propanamide?
The InChIKey is SYSHWLWOJPSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-10-5-4-8-6(9)2-3-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 3-chloro-N-(2-methoxyethyl)propanamide?
3-chloro-N-(2-methoxyethyl)propanamide has a molecular weight of 165.62 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 5184265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).