2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide

C13H18Br2N2O2 — CID 104920627

IUPAC2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
SMILESCN(C)CCOCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-17(2)6-8-19-7-5-16-13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,5-8H2,1-2H3,(H,16,18)
InChIKeyAMGMTTGIDBVJRQ-UHFFFAOYSA-N
MW394.11 g/mol
LogP2.52
Rot. Bonds7

About 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide

2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide (PubChem CID 104920627) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
PubChem CID104920627
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC Name2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
SMILESCN(C)CCOCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-17(2)6-8-19-7-5-16-13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,5-8H2,1-2H3,(H,16,18)
InChIKeyAMGMTTGIDBVJRQ-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide
CID 110612673
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682
2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
CID 106812685
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide
CID 104939248
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide (CID 104920627) is 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide is CN(C)CCOCCNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide?
The InChIKey is AMGMTTGIDBVJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-17(2)6-8-19-7-5-16-13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide?
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide has a molecular weight of 394.11 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide is sourced from PubChem (CID 104920627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).