4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide

C18H19BrN2O3 — CID 17459938

IUPAC4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-20-18(23)14-5-3-13(4-6-14)11-21(2)17(22)12-24-16-9-7-15(19)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXUDTZQYHXZQORG-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.85
Rot. Bonds6

About 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 17459938) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID17459938
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-20-18(23)14-5-3-13(4-6-14)11-21(2)17(22)12-24-16-9-7-15(19)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXUDTZQYHXZQORG-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124161
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 112792407
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504643
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-(4-bromophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512644
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 30381222
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
4-[[(3-amino-2,2-dimethylpropanoyl)-methylamino]methyl]-N-methylbenzamide;hydrochloride
CID 119694216

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide (CID 17459938) is 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is XUDTZQYHXZQORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-20-18(23)14-5-3-13(4-6-14)11-21(2)17(22)12-24-16-9-7-15(19)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 391.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 17459938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).