N-(2,4-dibromophenyl)hexanamide

C12H15Br2NO — CID 4251482

IUPACN-(2,4-dibromophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyRFFUHQYYBWCONR-UHFFFAOYSA-N
MW349.07 g/mol
LogP4.73
Rot. Bonds5

About N-(2,4-dibromophenyl)hexanamide

N-(2,4-dibromophenyl)hexanamide (PubChem CID 4251482) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)hexanamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)hexanamide
PubChem CID4251482
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC NameN-(2,4-dibromophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyRFFUHQYYBWCONR-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 54.73
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

N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(4-bromo-2-oxamoylphenyl)octanamide
CID 102529539
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
CID 46193338
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide
CID 118881902
N-(2,4-dibromophenyl)-4-phenylsulfanylbutanamide
CID 3694417
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)hexanamide?
The IUPAC name of N-(2,4-dibromophenyl)hexanamide (CID 4251482) is N-(2,4-dibromophenyl)hexanamide.
What is the SMILES notation for N-(2,4-dibromophenyl)hexanamide?
The canonical SMILES for N-(2,4-dibromophenyl)hexanamide is CCCCCC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)hexanamide?
The InChIKey is RFFUHQYYBWCONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2,4-dibromophenyl)hexanamide?
N-(2,4-dibromophenyl)hexanamide has a molecular weight of 349.07 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)hexanamide is sourced from PubChem (CID 4251482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).