5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide

C15H27Cl2NO2 — CID 91692658

IUPAC5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide
SMILESCCCCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C15H27Cl2NO2/c1-2-3-8-13-18(14(19)9-4-6-11-16)15(20)10-5-7-12-17/h2-13H2,1H3
InChIKeyFTOGHIHQBDTCHH-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.35
Rot. Bonds12

About 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide

5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide (PubChem CID 91692658) has the molecular formula C15H27Cl2NO2 and a molecular weight of 324.29 g/mol. Its IUPAC name is 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide
PubChem CID91692658
Molecular FormulaC15H27Cl2NO2
Molecular Weight324.29 g/mol
Exact Mass323.14
IUPAC Name5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide
SMILESCCCCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C15H27Cl2NO2/c1-2-3-8-13-18(14(19)9-4-6-11-16)15(20)10-5-7-12-17/h2-13H2,1H3
InChIKeyFTOGHIHQBDTCHH-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.35
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-pentylpentanamide?
The IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide (CID 91692658) is 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide.
What is the SMILES notation for 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide?
The canonical SMILES for 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide is CCCCCN(C(=O)CCCCCl)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide?
The InChIKey is FTOGHIHQBDTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27Cl2NO2/c1-2-3-8-13-18(14(19)9-4-6-11-16)15(20)10-5-7-12-17/h2-13H2,1H3.
What are the key properties of 5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide?
5-chloro-N-(5-chloropentanoyl)-N-pentylpentanamide has a molecular weight of 324.29 g/mol, XLogP of 4.35, 12 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-pentylpentanamide is sourced from PubChem (CID 91692658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).