N-(3-bromo-2,4-dichlorophenyl)octanamide

C14H18BrCl2NO — CID 177295929

IUPACN-(3-bromo-2,4-dichlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C14H18BrCl2NO/c1-2-3-4-5-6-7-12(19)18-11-9-8-10(16)13(15)14(11)17/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyVCZSUBIXKPYWDL-UHFFFAOYSA-N
MW367.11 g/mol
LogP6.05
Rot. Bonds7

About N-(3-bromo-2,4-dichlorophenyl)octanamide

N-(3-bromo-2,4-dichlorophenyl)octanamide (PubChem CID 177295929) has the molecular formula C14H18BrCl2NO and a molecular weight of 367.11 g/mol. Its IUPAC name is N-(3-bromo-2,4-dichlorophenyl)octanamide.

Molecular Properties

Compound NameN-(3-bromo-2,4-dichlorophenyl)octanamide
PubChem CID177295929
Molecular FormulaC14H18BrCl2NO
Molecular Weight367.11 g/mol
Exact Mass364.99
IUPAC NameN-(3-bromo-2,4-dichlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C14H18BrCl2NO/c1-2-3-4-5-6-7-12(19)18-11-9-8-10(16)13(15)14(11)17/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyVCZSUBIXKPYWDL-UHFFFAOYSA-N
XLogP6.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.11
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,4-dichlorophenyl)octanamide?
The IUPAC name of N-(3-bromo-2,4-dichlorophenyl)octanamide (CID 177295929) is N-(3-bromo-2,4-dichlorophenyl)octanamide.
What is the SMILES notation for N-(3-bromo-2,4-dichlorophenyl)octanamide?
The canonical SMILES for N-(3-bromo-2,4-dichlorophenyl)octanamide is CCCCCCCC(=O)Nc1ccc(Cl)c(Br)c1Cl.
What is the InChIKey of N-(3-bromo-2,4-dichlorophenyl)octanamide?
The InChIKey is VCZSUBIXKPYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO/c1-2-3-4-5-6-7-12(19)18-11-9-8-10(16)13(15)14(11)17/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-2,4-dichlorophenyl)octanamide?
N-(3-bromo-2,4-dichlorophenyl)octanamide has a molecular weight of 367.11 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,4-dichlorophenyl)octanamide is sourced from PubChem (CID 177295929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).