5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide

C16H29Cl2NO2 — CID 91692687

IUPAC5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide
SMILESCCCCCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C16H29Cl2NO2/c1-2-3-4-9-14-19(15(20)10-5-7-12-17)16(21)11-6-8-13-18/h2-14H2,1H3
InChIKeyAQBXHVHEIJYJDC-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.74
Rot. Bonds13

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

5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide (PubChem CID 91692687) has the molecular formula C16H29Cl2NO2 and a molecular weight of 338.32 g/mol. Its IUPAC name is 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide
PubChem CID91692687
Molecular FormulaC16H29Cl2NO2
Molecular Weight338.32 g/mol
Exact Mass337.16
IUPAC Name5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide
SMILESCCCCCCN(C(=O)CCCCCl)C(=O)CCCCCl
InChIInChI=1S/C16H29Cl2NO2/c1-2-3-4-9-14-19(15(20)10-5-7-12-17)16(21)11-6-8-13-18/h2-14H2,1H3
InChIKeyAQBXHVHEIJYJDC-UHFFFAOYSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 54.74
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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Related Compounds

Propanamide, N,N-dihexyl-3-chloro-
CID 533192
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Hexanamide, N,N-dihexyl-6-chloro-
CID 533344
Hexanamide, N,N-dioctyl-6-chloro-
CID 533346
Hexanamide, N,N-dinonyl-6-chloro-
CID 533347
Hexanamide, N,N-didecyl-6-chloro-
CID 533348
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-methyl-
CID 91692657
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-pentyl-
CID 91692658
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-(3-methylbutyl)-
CID 91692659
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-isobutyl-
CID 91692672
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-ethyl-
CID 91692686
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-propyl-
CID 91692693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide?
The IUPAC name of 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide (CID 91692687) is 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide.
What is the SMILES notation for 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide?
The canonical SMILES for 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide is CCCCCCN(C(=O)CCCCCl)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide?
The InChIKey is AQBXHVHEIJYJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29Cl2NO2/c1-2-3-4-9-14-19(15(20)10-5-7-12-17)16(21)11-6-8-13-18/h2-14H2,1H3.
What are the key properties of 5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide?
5-chloro-N-(5-chloropentanoyl)-N-hexylpentanamide has a molecular weight of 338.32 g/mol, XLogP of 4.74, 13 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-hexylpentanamide is sourced from PubChem (CID 91692687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).