N-(3,4-dichlorophenyl)hexanamide

C12H15Cl2NO — CID 17331

IUPACN-(3,4-dichlorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyUHNACMYDEPKBKS-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.51
Rot. Bonds5

About N-(3,4-dichlorophenyl)hexanamide

N-(3,4-dichlorophenyl)hexanamide (PubChem CID 17331) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)hexanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)hexanamide
PubChem CID17331
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-(3,4-dichlorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyUHNACMYDEPKBKS-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)hexanamide?
The IUPAC name of N-(3,4-dichlorophenyl)hexanamide (CID 17331) is N-(3,4-dichlorophenyl)hexanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)hexanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)hexanamide is CCCCCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)hexanamide?
The InChIKey is UHNACMYDEPKBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(3,4-dichlorophenyl)hexanamide?
N-(3,4-dichlorophenyl)hexanamide has a molecular weight of 260.16 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)hexanamide is sourced from PubChem (CID 17331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).