2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide

C15H13BrN2O3 — CID 81110110

IUPAC2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C15H13BrN2O3/c1-9-3-5-13(16)12(7-9)15(19)17-14-6-4-11(18(20)21)8-10(14)2/h3-8H,1-2H3,(H,17,19)
InChIKeyGMBSPFATIYBZKN-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.23
Rot. Bonds3

About 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide

2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide (PubChem CID 81110110) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
PubChem CID81110110
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C15H13BrN2O3/c1-9-3-5-13(16)12(7-9)15(19)17-14-6-4-11(18(20)21)8-10(14)2/h3-8H,1-2H3,(H,17,19)
InChIKeyGMBSPFATIYBZKN-UHFFFAOYSA-N
XLogP4.23
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
CID 103910150
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
4,5-dibromo-N-(2-methyl-4-nitrophenyl)thiophene-2-carboxamide
CID 19205255
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
5-amino-2-bromo-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744382
N-(2,4-dimethylphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 712627
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide (CID 81110110) is 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide is Cc1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
The InChIKey is GMBSPFATIYBZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-3-5-13(16)12(7-9)15(19)17-14-6-4-11(18(20)21)8-10(14)2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide has a molecular weight of 349.18 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 81110110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).