N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide

C13H8BrClN2O3 — CID 62908932

IUPACN-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H8BrClN2O3/c14-9-3-6-11(15)12(7-9)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,(H,16,18)
InChIKeyJETBHWIMEJENLD-UHFFFAOYSA-N
MW355.58 g/mol
LogP4.26
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide

N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide (PubChem CID 62908932) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
PubChem CID62908932
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC NameN-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H8BrClN2O3/c14-9-3-6-11(15)12(7-9)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,(H,16,18)
InChIKeyJETBHWIMEJENLD-UHFFFAOYSA-N
XLogP4.26
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 54.26
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

N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4158192
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide (CID 62908932) is N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide is O=C(Nc1cc(Br)ccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide?
The InChIKey is JETBHWIMEJENLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-9-3-6-11(15)12(7-9)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide?
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide has a molecular weight of 355.58 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 62908932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).