2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide

C15H12Br2ClNO2 — CID 103853019

IUPAC2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C15H12Br2ClNO2/c1-8-4-3-5-10(13(8)17)15(20)19-12-7-9(18)6-11(16)14(12)21-2/h3-7H,1-2H3,(H,19,20)
InChIKeyGSHITWLHVSNHMV-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.43
Rot. Bonds3

About 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide

2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide (PubChem CID 103853019) has the molecular formula C15H12Br2ClNO2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
PubChem CID103853019
Molecular FormulaC15H12Br2ClNO2
Molecular Weight433.53 g/mol
Exact Mass430.89
IUPAC Name2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C15H12Br2ClNO2/c1-8-4-3-5-10(13(8)17)15(20)19-12-7-9(18)6-11(16)14(12)21-2/h3-7H,1-2H3,(H,19,20)
InChIKeyGSHITWLHVSNHMV-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
CID 107951917
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide (CID 103853019) is 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide is COc1c(Br)cc(Cl)cc1NC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide?
The InChIKey is GSHITWLHVSNHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO2/c1-8-4-3-5-10(13(8)17)15(20)19-12-7-9(18)6-11(16)14(12)21-2/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide?
2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide has a molecular weight of 433.53 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 103853019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).