2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide

C15H13Br2NO2 — CID 103882118

IUPAC2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9-3-6-14(20-2)13(7-9)18-15(19)11-5-4-10(16)8-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyIGRMEQOVFIQYRJ-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.78
Rot. Bonds3

About 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide

2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 103882118) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID103882118
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9-3-6-14(20-2)13(7-9)18-15(19)11-5-4-10(16)8-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyIGRMEQOVFIQYRJ-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

2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
CID 103885271
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
CID 113237216
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide (CID 103882118) is 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is IGRMEQOVFIQYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9-3-6-14(20-2)13(7-9)18-15(19)11-5-4-10(16)8-12(11)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide?
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide 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 2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 103882118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).