N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide

C23H20BrNO5 — CID 1357480

IUPACN-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H20BrNO5/c1-28-19-11-15(12-20(29-2)22(19)30-3)23(27)25-18-10-9-16(24)13-17(18)21(26)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,25,27)
InChIKeyXEEBLMIHTZOFEY-UHFFFAOYSA-N
MW470.32 g/mol
LogP4.96
Rot. Bonds7

About N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide

N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide (PubChem CID 1357480) has the molecular formula C23H20BrNO5 and a molecular weight of 470.32 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide
PubChem CID1357480
Molecular FormulaC23H20BrNO5
Molecular Weight470.32 g/mol
Exact Mass469.05
IUPAC NameN-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H20BrNO5/c1-28-19-11-15(12-20(29-2)22(19)30-3)23(27)25-18-10-9-16(24)13-17(18)21(26)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,25,27)
InChIKeyXEEBLMIHTZOFEY-UHFFFAOYSA-N
XLogP4.96
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide (CID 1357480) is N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is XEEBLMIHTZOFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO5/c1-28-19-11-15(12-20(29-2)22(19)30-3)23(27)25-18-10-9-16(24)13-17(18)21(26)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,25,27).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide?
N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 470.32 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1357480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).