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

C17H18BrNO4 — CID 2993752

IUPAC2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C17H18BrNO4/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-19-17(20)12-6-4-5-7-13(12)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyCIWPPKOBHCIDCN-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.40
Rot. Bonds6

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

2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 2993752) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID2993752
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C17H18BrNO4/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-19-17(20)12-6-4-5-7-13(12)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyCIWPPKOBHCIDCN-UHFFFAOYSA-N
XLogP3.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 24549627
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55483025
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 2993752) is 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccccc2Br)cc(OC)c1OC.
What is the InChIKey of 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is CIWPPKOBHCIDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-19-17(20)12-6-4-5-7-13(12)18/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 380.24 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 2993752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).