2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide

C11H12Br3NO — CID 114375651

IUPAC2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
SMILESCC(Br)CN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br3NO/c1-7(12)6-15(2)11(16)9-5-8(13)3-4-10(9)14/h3-5,7H,6H2,1-2H3
InChIKeyRFSFUJOHTAITCR-UHFFFAOYSA-N
MW413.94 g/mol
LogP4.07
Rot. Bonds3

About 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide

2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide (PubChem CID 114375651) has the molecular formula C11H12Br3NO and a molecular weight of 413.94 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
PubChem CID114375651
Molecular FormulaC11H12Br3NO
Molecular Weight413.94 g/mol
Exact Mass410.85
IUPAC Name2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
SMILESCC(Br)CN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br3NO/c1-7(12)6-15(2)11(16)9-5-8(13)3-4-10(9)14/h3-5,7H,6H2,1-2H3
InChIKeyRFSFUJOHTAITCR-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.94
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
CID 114371455
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide?
The IUPAC name of 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide (CID 114375651) is 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide is CC(Br)CN(C)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide?
The InChIKey is RFSFUJOHTAITCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br3NO/c1-7(12)6-15(2)11(16)9-5-8(13)3-4-10(9)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide?
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide has a molecular weight of 413.94 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide is sourced from PubChem (CID 114375651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).