5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide

C15H13Br2NO2 — CID 3979736

IUPAC5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9-6-11(17)8-13(14(9)20-2)15(19)18-12-5-3-4-10(16)7-12/h3-8H,1-2H3,(H,18,19)
InChIKeyKMCBYEKJVGJOIQ-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.78
Rot. Bonds3

About 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide

5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide (PubChem CID 3979736) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
PubChem CID3979736
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9-6-11(17)8-13(14(9)20-2)15(19)18-12-5-3-4-10(16)7-12/h3-8H,1-2H3,(H,18,19)
InChIKeyKMCBYEKJVGJOIQ-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 22777929
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
5-bromo-N-[(3-chlorophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 22776187
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite
CID 67302853
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide?
The IUPAC name of 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide (CID 3979736) is 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide is COc1c(C)cc(Br)cc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide?
The InChIKey is KMCBYEKJVGJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9-6-11(17)8-13(14(9)20-2)15(19)18-12-5-3-4-10(16)7-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide?
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide has a molecular weight of 399.08 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 3979736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).