2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide

C14H10Br2N2O3 — CID 103885202

IUPAC2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2N2O3/c1-8-2-4-10(18(20)21)7-13(8)17-14(19)11-5-3-9(15)6-12(11)16/h2-7H,1H3,(H,17,19)
InChIKeyANKGEXKXACVSDM-UHFFFAOYSA-N
MW414.05 g/mol
LogP4.68
Rot. Bonds3

About 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide

2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 103885202) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID103885202
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2N2O3/c1-8-2-4-10(18(20)21)7-13(8)17-14(19)11-5-3-9(15)6-12(11)16/h2-7H,1H3,(H,17,19)
InChIKeyANKGEXKXACVSDM-UHFFFAOYSA-N
XLogP4.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 54.68
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

2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 104852061
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
CID 55606742
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide (CID 103885202) is 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is ANKGEXKXACVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c1-8-2-4-10(18(20)21)7-13(8)17-14(19)11-5-3-9(15)6-12(11)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide?
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 414.05 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 103885202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).