4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H13BrN2O3 — CID 78987486

IUPAC4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C11H13BrN2O3/c1-13-10(15)6-14-11(16)8-4-3-7(12)5-9(8)17-2/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMFWSNFPDFGJIGU-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.93
Rot. Bonds4

About 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide

4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 78987486) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID78987486
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C11H13BrN2O3/c1-13-10(15)6-14-11(16)8-4-3-7(12)5-9(8)17-2/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMFWSNFPDFGJIGU-UHFFFAOYSA-N
XLogP0.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79676470
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 83121333
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 78987486) is 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is MFWSNFPDFGJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-13-10(15)6-14-11(16)8-4-3-7(12)5-9(8)17-2/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 301.14 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 78987486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).