4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide

C12H17BrN2O2 — CID 67216049

IUPAC4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C12H17BrN2O2/c1-14-6-7-15(2)12(16)9-4-5-10(13)11(8-9)17-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyNHRQIFJUSWCIAA-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.75
Rot. Bonds5

About 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide

4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide (PubChem CID 67216049) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
PubChem CID67216049
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C12H17BrN2O2/c1-14-6-7-15(2)12(16)9-4-5-10(13)11(8-9)17-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyNHRQIFJUSWCIAA-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide (CID 67216049) is 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide is CNCCN(C)C(=O)c1ccc(Br)c(OC)c1.
What is the InChIKey of 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is NHRQIFJUSWCIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-14-6-7-15(2)12(16)9-4-5-10(13)11(8-9)17-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 67216049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).