2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C18H20BrNO4 — CID 113095826

IUPAC2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C)C(=O)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C18H20BrNO4/c1-20(18(21)13-7-5-6-8-14(13)19)11-12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,11H2,1-4H3
InChIKeyBNYZLKCGBVTDNI-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.75
Rot. Bonds6

About 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 113095826) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID113095826
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C)C(=O)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C18H20BrNO4/c1-20(18(21)13-7-5-6-8-14(13)19)11-12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,11H2,1-4H3
InChIKeyBNYZLKCGBVTDNI-UHFFFAOYSA-N
XLogP3.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 113095826) is 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CN(C)C(=O)c2ccccc2Br)cc(OC)c1OC.
What is the InChIKey of 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is BNYZLKCGBVTDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-20(18(21)13-7-5-6-8-14(13)19)11-12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,11H2,1-4H3.
What are the key properties of 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 394.27 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 113095826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).