2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide

C15H12Br3NO — CID 114375751

IUPAC2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
SMILESO=C(NCC(Br)c1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br3NO/c16-11-6-7-13(17)12(8-11)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyPHUWYHXCWOYDGJ-UHFFFAOYSA-N
MW461.98 g/mol
LogP5.08
Rot. Bonds4

About 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide

2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide (PubChem CID 114375751) has the molecular formula C15H12Br3NO and a molecular weight of 461.98 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
PubChem CID114375751
Molecular FormulaC15H12Br3NO
Molecular Weight461.98 g/mol
Exact Mass458.85
IUPAC Name2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
SMILESO=C(NCC(Br)c1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br3NO/c16-11-6-7-13(17)12(8-11)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyPHUWYHXCWOYDGJ-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.98
LogP ≤ 55.08
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

N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
CID 114374319
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
CID 114308397
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide (CID 114375751) is 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide is O=C(NCC(Br)c1ccccc1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide?
The InChIKey is PHUWYHXCWOYDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3NO/c16-11-6-7-13(17)12(8-11)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20).
What are the key properties of 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide?
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide has a molecular weight of 461.98 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide is sourced from PubChem (CID 114375751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).