5-chloro-N-(2-methoxyethyl)pentanamide

C8H16ClNO2 — CID 28733251

IUPAC5-chloro-N-(2-methoxyethyl)pentanamide
SMILESCOCCNC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO2/c1-12-7-6-10-8(11)4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyCJLRRLAALZEEQH-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.16
Rot. Bonds7

About 5-chloro-N-(2-methoxyethyl)pentanamide

5-chloro-N-(2-methoxyethyl)pentanamide (PubChem CID 28733251) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)pentanamide
PubChem CID28733251
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name5-chloro-N-(2-methoxyethyl)pentanamide
SMILESCOCCNC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO2/c1-12-7-6-10-8(11)4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyCJLRRLAALZEEQH-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.16
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 5-chloro-N-(2-methoxyethyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)pentanamide (CID 28733251) is 5-chloro-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)pentanamide is COCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)pentanamide?
The InChIKey is CJLRRLAALZEEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-12-7-6-10-8(11)4-2-3-5-9/h2-7H2,1H3,(H,10,11).
What are the key properties of 5-chloro-N-(2-methoxyethyl)pentanamide?
5-chloro-N-(2-methoxyethyl)pentanamide has a molecular weight of 193.67 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 28733251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).