5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide

C14H25Cl2NO2 — CID 91692672

IUPAC5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide
SMILESCC(C)CN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C14H25Cl2NO2/c1-12(2)11-17(13(18)7-3-5-9-15)14(19)8-4-6-10-16/h12H,3-11H2,1-2H3
InChIKeyRETMFOIPBFYLHW-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.82
Rot. Bonds10

About 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide

5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide (PubChem CID 91692672) has the molecular formula C14H25Cl2NO2 and a molecular weight of 310.27 g/mol. Its IUPAC name is 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide
PubChem CID91692672
Molecular FormulaC14H25Cl2NO2
Molecular Weight310.27 g/mol
Exact Mass309.13
IUPAC Name5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide
SMILESCC(C)CN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C14H25Cl2NO2/c1-12(2)11-17(13(18)7-3-5-9-15)14(19)8-4-6-10-16/h12H,3-11H2,1-2H3
InChIKeyRETMFOIPBFYLHW-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.82
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-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide?
The IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide (CID 91692672) is 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide is CC(C)CN(C(=O)CCCCCl)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide?
The InChIKey is RETMFOIPBFYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl2NO2/c1-12(2)11-17(13(18)7-3-5-9-15)14(19)8-4-6-10-16/h12H,3-11H2,1-2H3.
What are the key properties of 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide?
5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide has a molecular weight of 310.27 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloropentanoyl)-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 91692672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).