N-(3,4-dichlorophenyl)octanamide

C14H19Cl2NO — CID 525041

IUPACN-(3,4-dichlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeySZKXTFXJAMTZJN-UHFFFAOYSA-N
MW288.22 g/mol
LogP5.29
Rot. Bonds7

About N-(3,4-dichlorophenyl)octanamide

N-(3,4-dichlorophenyl)octanamide (PubChem CID 525041) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)octanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)octanamide
PubChem CID525041
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-(3,4-dichlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeySZKXTFXJAMTZJN-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.22
LogP ≤ 55.29
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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Related Compounds

Propanil
CID 4933
Cypromid
CID 17693
N-(4-Chlorophenyl)acetamide
CID 10871
N-(3-Chlorophenyl)acetamide
CID 11493
Monalide
CID 23715
3,4-Dichloroacetanilide
CID 16530
Chloranocryl
CID 16560
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
2-chloro-N-(3,4-dichlorophenyl)acetamide
CID 234744
3',4'-Dichlorocyclohexanecarboxanilide
CID 140002
N-(3-chlorophenyl)cyclohexanecarboxamide
CID 531819
Erlujixiancaoan
CID 595317

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)octanamide?
The IUPAC name of N-(3,4-dichlorophenyl)octanamide (CID 525041) is N-(3,4-dichlorophenyl)octanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)octanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)octanamide is CCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)octanamide?
The InChIKey is SZKXTFXJAMTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)octanamide?
N-(3,4-dichlorophenyl)octanamide has a molecular weight of 288.22 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)octanamide is sourced from PubChem (CID 525041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).