3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide

C17H18BrNO3 — CID 7718898

IUPAC3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(Br)c2)c1OC
InChIInChI=1S/C17H18BrNO3/c1-19(17(20)12-6-4-8-14(18)10-12)11-13-7-5-9-15(21-2)16(13)22-3/h4-10H,11H2,1-3H3
InChIKeyNUKZHCXDMKZLCM-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.74
Rot. Bonds5

About 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide

3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 7718898) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
PubChem CID7718898
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(Br)c2)c1OC
InChIInChI=1S/C17H18BrNO3/c1-19(17(20)12-6-4-8-14(18)10-12)11-13-7-5-9-15(21-2)16(13)22-3/h4-10H,11H2,1-3H3
InChIKeyNUKZHCXDMKZLCM-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
N-[(2,3-dimethoxyphenyl)methyl]-3-(ethylsulfamoyl)-N-methylbenzamide
CID 36544729
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
4-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 18112118
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide (CID 7718898) is 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cccc(Br)c2)c1OC.
What is the InChIKey of 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is NUKZHCXDMKZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-19(17(20)12-6-4-8-14(18)10-12)11-13-7-5-9-15(21-2)16(13)22-3/h4-10H,11H2,1-3H3.
What are the key properties of 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 364.24 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 7718898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).