5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide

C13H8BrClN2O4 — CID 103863256

IUPAC5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H8BrClN2O4/c14-7-1-3-10(15)9(5-7)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,(H,16,19)
InChIKeyWECFIDBMMWIHSF-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.97
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide

5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 103863256) has the molecular formula C13H8BrClN2O4 and a molecular weight of 371.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID103863256
Molecular FormulaC13H8BrClN2O4
Molecular Weight371.57 g/mol
Exact Mass369.94
IUPAC Name5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H8BrClN2O4/c14-7-1-3-10(15)9(5-7)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,(H,16,19)
InChIKeyWECFIDBMMWIHSF-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
CID 136812224
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 103863256) is 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is WECFIDBMMWIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O4/c14-7-1-3-10(15)9(5-7)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,(H,16,19).
What are the key properties of 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide 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 5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 103863256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).