3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide

C14H18Br3NO — CID 114145772

IUPAC3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
SMILESCCCC(CCBr)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H18Br3NO/c1-2-3-10(4-5-15)9-18-14(19)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyHAIIAAMOWYWAGA-UHFFFAOYSA-N
MW456.02 g/mol
LogP5.14
Rot. Bonds7

About 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide

3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide (PubChem CID 114145772) has the molecular formula C14H18Br3NO and a molecular weight of 456.02 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
PubChem CID114145772
Molecular FormulaC14H18Br3NO
Molecular Weight456.02 g/mol
Exact Mass452.89
IUPAC Name3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
SMILESCCCC(CCBr)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H18Br3NO/c1-2-3-10(4-5-15)9-18-14(19)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyHAIIAAMOWYWAGA-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.02
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114145848
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
3-bromo-N-[2-(2-hydroxyethyl)pentyl]-5-nitrobenzamide
CID 103819803
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-[2-(2-bromoethyl)pentyl]-4-methyl-3-nitrobenzamide
CID 106117843
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-[2-(2-bromoethyl)pentyl]-2H-triazole-4-carboxamide
CID 106118031

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide (CID 114145772) is 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide is CCCC(CCBr)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide?
The InChIKey is HAIIAAMOWYWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br3NO/c1-2-3-10(4-5-15)9-18-14(19)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide?
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide has a molecular weight of 456.02 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide is sourced from PubChem (CID 114145772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).