N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide

C13H8BrClN2O3 — CID 81272714

IUPACN-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8BrClN2O3/c14-11-5-4-9(15)7-12(11)16-13(18)8-2-1-3-10(6-8)17(19)20/h1-7H,(H,16,18)
InChIKeyOXFPLCSSLJUTTD-UHFFFAOYSA-N
MW355.58 g/mol
LogP4.26
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide

N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide (PubChem CID 81272714) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
PubChem CID81272714
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8BrClN2O3/c14-11-5-4-9(15)7-12(11)16-13(18)8-2-1-3-10(6-8)17(19)20/h1-7H,(H,16,18)
InChIKeyOXFPLCSSLJUTTD-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

methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate
CID 17409028
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
CID 1313410
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 1313581
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide (CID 81272714) is N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide is O=C(Nc1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide?
The InChIKey is OXFPLCSSLJUTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-11-5-4-9(15)7-12(11)16-13(18)8-2-1-3-10(6-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide?
N-(2-bromo-5-chlorophenyl)-3-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-(2-bromo-5-chlorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 81272714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).