2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C13H20BrN3O — CID 105401809

IUPAC2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCc1ccc(C(NCCN(C)C)C(N)=O)cc1Br
InChIInChI=1S/C13H20BrN3O/c1-9-4-5-10(8-11(9)14)12(13(15)18)16-6-7-17(2)3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyGEZFFBNHUCJFRR-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.44
Rot. Bonds6

About 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 105401809) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID105401809
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCc1ccc(C(NCCN(C)C)C(N)=O)cc1Br
InChIInChI=1S/C13H20BrN3O/c1-9-4-5-10(8-11(9)14)12(13(15)18)16-6-7-17(2)3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyGEZFFBNHUCJFRR-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 105401809) is 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is Cc1ccc(C(NCCN(C)C)C(N)=O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is GEZFFBNHUCJFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-4-5-10(8-11(9)14)12(13(15)18)16-6-7-17(2)3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18).
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 314.23 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 105401809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).