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

C15H13BrN2O3 — CID 104852061

IUPAC3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C15H13BrN2O3/c1-9-5-11(7-12(16)6-9)15(19)17-14-8-13(18(20)21)4-3-10(14)2/h3-8H,1-2H3,(H,17,19)
InChIKeyIYCXXLLMOAWPHM-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.23
Rot. Bonds3

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

3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 104852061) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID104852061
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C15H13BrN2O3/c1-9-5-11(7-12(16)6-9)15(19)17-14-8-13(18(20)21)4-3-10(14)2/h3-8H,1-2H3,(H,17,19)
InChIKeyIYCXXLLMOAWPHM-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

4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
CID 103885202
N-(3-bromo-5-methylphenyl)-4-nitrobenzamide
CID 104938740
1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
CID 103610887
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
CID 55606742
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide (CID 104852061) is 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide is Cc1cc(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is IYCXXLLMOAWPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-5-11(7-12(16)6-9)15(19)17-14-8-13(18(20)21)4-3-10(14)2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide?
3-bromo-5-methyl-N-(2-methyl-5-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 3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 104852061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).