N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide

C22H18BrNO4 — CID 3350285

IUPACN-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Br)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18BrNO4/c1-27-18-9-6-10-19(28-2)20(18)22(26)24-15-11-12-17(23)16(13-15)21(25)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,24,26)
InChIKeyKLWIIXQZZFHONA-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.95
Rot. Bonds6

About N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide

N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide (PubChem CID 3350285) has the molecular formula C22H18BrNO4 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide
PubChem CID3350285
Molecular FormulaC22H18BrNO4
Molecular Weight440.29 g/mol
Exact Mass439.04
IUPAC NameN-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Br)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18BrNO4/c1-27-18-9-6-10-19(28-2)20(18)22(26)24-15-11-12-17(23)16(13-15)21(25)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,24,26)
InChIKeyKLWIIXQZZFHONA-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-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(3,5-difluorophenyl)-2,6-dimethoxybenzamide
CID 2989177
N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide (CID 3350285) is N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(Br)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide?
The InChIKey is KLWIIXQZZFHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO4/c1-27-18-9-6-10-19(28-2)20(18)22(26)24-15-11-12-17(23)16(13-15)21(25)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide?
N-(3-benzoyl-4-bromophenyl)-2,6-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-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 3350285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).