4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide

C13H17BrN2O3 — CID 78988590

IUPAC4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C13H17BrN2O3/c1-15(2)12(17)8-16(3)13(18)10-6-5-9(14)7-11(10)19-4/h5-7H,8H2,1-4H3
InChIKeyWTVWXEOGUOCMFD-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.62
Rot. Bonds4

About 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide

4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide (PubChem CID 78988590) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
PubChem CID78988590
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C13H17BrN2O3/c1-15(2)12(17)8-16(3)13(18)10-6-5-9(14)7-11(10)19-4/h5-7H,8H2,1-4H3
InChIKeyWTVWXEOGUOCMFD-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide 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-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 78987855
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 83121333
4-bromo-N,N-bis(cyanomethyl)-2-methoxybenzamide
CID 113296051
4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 78987573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide (CID 78988590) is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide is COc1cc(Br)ccc1C(=O)N(C)CC(=O)N(C)C.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
The InChIKey is WTVWXEOGUOCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-15(2)12(17)8-16(3)13(18)10-6-5-9(14)7-11(10)19-4/h5-7H,8H2,1-4H3.
What are the key properties of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide has a molecular weight of 329.19 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 78988590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).