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

C22H18BrNO4 — CID 40996274

IUPACN-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c1OC
InChIInChI=1S/C22H18BrNO4/c1-27-19-10-6-9-16(21(19)28-2)22(26)24-18-12-11-15(23)13-17(18)20(25)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,24,26)
InChIKeyHBQUYGGALJRDSM-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.95
Rot. Bonds6

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

N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide (PubChem CID 40996274) has the molecular formula C22H18BrNO4 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
PubChem CID40996274
Molecular FormulaC22H18BrNO4
Molecular Weight440.29 g/mol
Exact Mass439.04
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c1OC
InChIInChI=1S/C22H18BrNO4/c1-27-19-10-6-9-16(21(19)28-2)22(26)24-18-12-11-15(23)13-17(18)20(25)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,24,26)
InChIKeyHBQUYGGALJRDSM-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)-3,4-dimethoxybenzamide
CID 21204048
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
CID 24691830

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide (CID 40996274) is N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c1OC.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide?
The InChIKey is HBQUYGGALJRDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO4/c1-27-19-10-6-9-16(21(19)28-2)22(26)24-18-12-11-15(23)13-17(18)20(25)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide?
N-(2-benzoyl-4-bromophenyl)-2,3-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)-2,3-dimethoxybenzamide is sourced from PubChem (CID 40996274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).