5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide

C12H21ClF3NO2 — CID 54875691

IUPAC5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C12H21ClF3NO2/c1-2-19-9-5-8-17(10-12(14,15)16)11(18)6-3-4-7-13/h2-10H2,1H3
InChIKeyFVMCNKWUFMUQHP-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.21
Rot. Bonds10

About 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide

5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54875691) has the molecular formula C12H21ClF3NO2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54875691
Molecular FormulaC12H21ClF3NO2
Molecular Weight303.75 g/mol
Exact Mass303.12
IUPAC Name5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C12H21ClF3NO2/c1-2-19-9-5-8-17(10-12(14,15)16)11(18)6-3-4-7-13/h2-10H2,1H3
InChIKeyFVMCNKWUFMUQHP-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.21
H-Bond Donors ≤ 50
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-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 54875691) is 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCOCCCN(CC(F)(F)F)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is FVMCNKWUFMUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClF3NO2/c1-2-19-9-5-8-17(10-12(14,15)16)11(18)6-3-4-7-13/h2-10H2,1H3.
What are the key properties of 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 303.75 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54875691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).