N-(2-bromophenyl)-2,4-dinitrobenzamide

C13H8BrN3O5 — CID 4244481

IUPACN-(2-bromophenyl)-2,4-dinitrobenzamide
SMILESO=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H8BrN3O5/c14-10-3-1-2-4-11(10)15-13(18)9-6-5-8(16(19)20)7-12(9)17(21)22/h1-7H,(H,15,18)
InChIKeyASMDYMSPGKJMKQ-UHFFFAOYSA-N
MW366.13 g/mol
LogP3.52
Rot. Bonds4

About N-(2-bromophenyl)-2,4-dinitrobenzamide

N-(2-bromophenyl)-2,4-dinitrobenzamide (PubChem CID 4244481) has the molecular formula C13H8BrN3O5 and a molecular weight of 366.13 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,4-dinitrobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,4-dinitrobenzamide
PubChem CID4244481
Molecular FormulaC13H8BrN3O5
Molecular Weight366.13 g/mol
Exact Mass364.96
IUPAC NameN-(2-bromophenyl)-2,4-dinitrobenzamide
SMILESO=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H8BrN3O5/c14-10-3-1-2-4-11(10)15-13(18)9-6-5-8(16(19)20)7-12(9)17(21)22/h1-7H,(H,15,18)
InChIKeyASMDYMSPGKJMKQ-UHFFFAOYSA-N
XLogP3.52
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide
CID 3296693
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
N-(4-bromo-2-fluorophenyl)-2,4-dinitrobenzamide
CID 3306901
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2,4-dinitrobenzamide
CID 23769969
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
2-bromo-N-(2-cyano-4-nitrophenyl)benzamide
CID 60704050
N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-2,4-dinitrobenzamide
CID 3643668
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,4-dinitrobenzamide?
The IUPAC name of N-(2-bromophenyl)-2,4-dinitrobenzamide (CID 4244481) is N-(2-bromophenyl)-2,4-dinitrobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-2,4-dinitrobenzamide?
The canonical SMILES for N-(2-bromophenyl)-2,4-dinitrobenzamide is O=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2-bromophenyl)-2,4-dinitrobenzamide?
The InChIKey is ASMDYMSPGKJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O5/c14-10-3-1-2-4-11(10)15-13(18)9-6-5-8(16(19)20)7-12(9)17(21)22/h1-7H,(H,15,18).
What are the key properties of N-(2-bromophenyl)-2,4-dinitrobenzamide?
N-(2-bromophenyl)-2,4-dinitrobenzamide has a molecular weight of 366.13 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,4-dinitrobenzamide is sourced from PubChem (CID 4244481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).