N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide

C13H8BrClN2O4 — CID 107613195

IUPACN-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H8BrClN2O4/c14-9-5-4-7(6-10(9)15)16-13(19)8-2-1-3-11(12(8)18)17(20)21/h1-6,18H,(H,16,19)
InChIKeyBAZPMRXHRPUHGV-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.97
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide

N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide (PubChem CID 107613195) has the molecular formula C13H8BrClN2O4 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
PubChem CID107613195
Molecular FormulaC13H8BrClN2O4
Molecular Weight371.57 g/mol
Exact Mass369.94
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H8BrClN2O4/c14-9-5-4-7(6-10(9)15)16-13(19)8-2-1-3-11(12(8)18)17(20)21/h1-6,18H,(H,16,19)
InChIKeyBAZPMRXHRPUHGV-UHFFFAOYSA-N
XLogP3.97
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385
N-(4-bromo-3-chlorophenyl)-2-methyl-3,5-dinitrobenzamide
CID 17256775
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
CID 710986
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
CID 102560035
N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107076664

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide (CID 107613195) is N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide is O=C(Nc1ccc(Br)c(Cl)c1)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is BAZPMRXHRPUHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O4/c14-9-5-4-7(6-10(9)15)16-13(19)8-2-1-3-11(12(8)18)17(20)21/h1-6,18H,(H,16,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide?
N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide has a molecular weight of 371.57 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 107613195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).