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

C12H16Br2N2O — CID 114372357

IUPAC2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H16Br2N2O/c1-15(2)6-7-16(3)12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,6-7H2,1-3H3
InChIKeyGGBFVQWURQLIEL-UHFFFAOYSA-N
MW364.08 g/mol
LogP2.85
Rot. Bonds4

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

2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 114372357) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID114372357
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H16Br2N2O/c1-15(2)6-7-16(3)12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,6-7H2,1-3H3
InChIKeyGGBFVQWURQLIEL-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
4-bromo-N-[3-(dimethylamino)propyl]-N-methyl-2-sulfanylbenzamide
CID 107029984
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 114372357) is 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is GGBFVQWURQLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-15(2)6-7-16(3)12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 364.08 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 114372357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).