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

C9H18ClNO2 — CID 43591215

IUPAC5-chloro-N-(2-ethoxyethyl)pentanamide
SMILESCCOCCNC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-2-13-8-7-11-9(12)5-3-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyLFPBFOOOIUECLD-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.55
Rot. Bonds8

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

5-chloro-N-(2-ethoxyethyl)pentanamide (PubChem CID 43591215) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)pentanamide
PubChem CID43591215
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name5-chloro-N-(2-ethoxyethyl)pentanamide
SMILESCCOCCNC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-2-13-8-7-11-9(12)5-3-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyLFPBFOOOIUECLD-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.55
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-ethoxyethyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)pentanamide (CID 43591215) is 5-chloro-N-(2-ethoxyethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)pentanamide is CCOCCNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)pentanamide?
The InChIKey is LFPBFOOOIUECLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-2-13-8-7-11-9(12)5-3-4-6-10/h2-8H2,1H3,(H,11,12).
What are the key properties of 5-chloro-N-(2-ethoxyethyl)pentanamide?
5-chloro-N-(2-ethoxyethyl)pentanamide has a molecular weight of 207.70 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)pentanamide is sourced from PubChem (CID 43591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).