3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C12H17BrN2O — CID 63695423

IUPAC3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-14(2)7-8-15(3)12(16)10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3
InChIKeyLBEFZEJLKLDVNZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.08
Rot. Bonds4

About 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 63695423) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID63695423
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-14(2)7-8-15(3)12(16)10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3
InChIKeyLBEFZEJLKLDVNZ-UHFFFAOYSA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 63695423) is 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is LBEFZEJLKLDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-14(2)7-8-15(3)12(16)10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 285.19 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 63695423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).