2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

C15H13BrN2O4 — CID 18190907

IUPAC2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C15H13BrN2O4/c1-9-13(4-3-5-14(9)18(20)21)17-15(19)11-8-10(22-2)6-7-12(11)16/h3-8H,1-2H3,(H,17,19)
InChIKeyMEZDRISTPJWIRU-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.93
Rot. Bonds4

About 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 18190907) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID18190907
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C15H13BrN2O4/c1-9-13(4-3-5-14(9)18(20)21)17-15(19)11-8-10(22-2)6-7-12(11)16/h3-8H,1-2H3,(H,17,19)
InChIKeyMEZDRISTPJWIRU-UHFFFAOYSA-N
XLogP3.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2524241
5-amino-2-bromo-N-(2-methyl-3-nitrophenyl)benzamide
CID 115297130
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
CID 103479738
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
3-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 47233812
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (CID 18190907) is 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is COc1ccc(Br)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is MEZDRISTPJWIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-9-13(4-3-5-14(9)18(20)21)17-15(19)11-8-10(22-2)6-7-12(11)16/h3-8H,1-2H3,(H,17,19).
What are the key properties of 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 365.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 18190907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).