3-bromo-5-methyl-2-nitrobenzamide

C8H7BrN2O3 — CID 130924275

IUPAC3-bromo-5-methyl-2-nitrobenzamide
SMILESCc1cc(Br)c([N+](=O)[O-])c(C(N)=O)c1
InChIInChI=1S/C8H7BrN2O3/c1-4-2-5(8(10)12)7(11(13)14)6(9)3-4/h2-3H,1H3,(H2,10,12)
InChIKeyROWKPSQZJXJBKH-UHFFFAOYSA-N
MW259.06 g/mol
LogP1.76
Rot. Bonds2

About 3-bromo-5-methyl-2-nitrobenzamide

3-bromo-5-methyl-2-nitrobenzamide (PubChem CID 130924275) has the molecular formula C8H7BrN2O3 and a molecular weight of 259.06 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-2-nitrobenzamide
PubChem CID130924275
Molecular FormulaC8H7BrN2O3
Molecular Weight259.06 g/mol
Exact Mass257.96
IUPAC Name3-bromo-5-methyl-2-nitrobenzamide
SMILESCc1cc(Br)c([N+](=O)[O-])c(C(N)=O)c1
InChIInChI=1S/C8H7BrN2O3/c1-4-2-5(8(10)12)7(11(13)14)6(9)3-4/h2-3H,1H3,(H2,10,12)
InChIKeyROWKPSQZJXJBKH-UHFFFAOYSA-N
XLogP1.76
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 51.76
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

2,5-dimethyl-3-nitrobenzamide
CID 119008464
3-bromo-2-chloro-5-methylbenzamide
CID 131538692
5-bromo-4-nitropyridine-3-carboxamide
CID 130893277
3,5-dimethyl-2-nitrobenzoic acid
CID 19863989
1-(3-bromo-5-chloro-2-nitrophenyl)ethanone
CID 131491583
4-ethynyl-2,5-dimethyl-3-nitrobenzamide
CID 174758937
2,5-difluoro-4-methyl-3-nitrobenzamide
CID 169268617
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248
3-chloro-5-methyl-2-nitrobenzoic acid
CID 130775428
5-chloro-3-iodo-2-nitrobenzamide
CID 171005064
4-hydroxy-2-methyl-3-nitrobenzamide
CID 20981195
ethyl 3-bromo-5-cyano-2-nitrobenzoate
CID 134650501

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-nitrobenzamide?
The IUPAC name of 3-bromo-5-methyl-2-nitrobenzamide (CID 130924275) is 3-bromo-5-methyl-2-nitrobenzamide.
What is the SMILES notation for 3-bromo-5-methyl-2-nitrobenzamide?
The canonical SMILES for 3-bromo-5-methyl-2-nitrobenzamide is Cc1cc(Br)c([N+](=O)[O-])c(C(N)=O)c1.
What is the InChIKey of 3-bromo-5-methyl-2-nitrobenzamide?
The InChIKey is ROWKPSQZJXJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3/c1-4-2-5(8(10)12)7(11(13)14)6(9)3-4/h2-3H,1H3,(H2,10,12).
What are the key properties of 3-bromo-5-methyl-2-nitrobenzamide?
3-bromo-5-methyl-2-nitrobenzamide has a molecular weight of 259.06 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 130924275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).