5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide

C13H26ClNO — CID 43701300

IUPAC5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCCCCl
InChIInChI=1S/C13H26ClNO/c1-12(2,3)10-13(4,5)15-11(16)8-6-7-9-14/h6-10H2,1-5H3,(H,15,16)
InChIKeyBAQACVKRLKDYDI-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.73
Rot. Bonds6

About 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide

5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide (PubChem CID 43701300) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
PubChem CID43701300
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCCCCl
InChIInChI=1S/C13H26ClNO/c1-12(2,3)10-13(4,5)15-11(16)8-6-7-9-14/h6-10H2,1-5H3,(H,15,16)
InChIKeyBAQACVKRLKDYDI-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,4,4-trimethylpentan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide (CID 43701300) is 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide is CC(C)(C)CC(C)(C)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The InChIKey is BAQACVKRLKDYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-12(2,3)10-13(4,5)15-11(16)8-6-7-9-14/h6-10H2,1-5H3,(H,15,16).
What are the key properties of 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide has a molecular weight of 247.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide is sourced from PubChem (CID 43701300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).