N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide

C22H18BrNO4 — CID 21204048

IUPACN-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H18BrNO4/c1-27-19-11-8-15(12-20(19)28-2)22(26)24-18-10-9-16(23)13-17(18)21(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26)
InChIKeyXCJXTRSCNROHIZ-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.95
Rot. Bonds6

About N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide

N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide (PubChem CID 21204048) has the molecular formula C22H18BrNO4 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
PubChem CID21204048
Molecular FormulaC22H18BrNO4
Molecular Weight440.29 g/mol
Exact Mass439.04
IUPAC NameN-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H18BrNO4/c1-27-19-11-8-15(12-20(19)28-2)22(26)24-18-10-9-16(23)13-17(18)21(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26)
InChIKeyXCJXTRSCNROHIZ-UHFFFAOYSA-N
XLogP4.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
CID 40996274
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(2-benzoyl-4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 23770948
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol
CID 142865656
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide (CID 21204048) is N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide?
The InChIKey is XCJXTRSCNROHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO4/c1-27-19-11-8-15(12-20(19)28-2)22(26)24-18-10-9-16(23)13-17(18)21(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide?
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide has a molecular weight of 440.29 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 21204048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).