2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide

C8H7BrN2O4 — CID 4089912

IUPAC2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CBr)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)
InChIKeySTWBNOBMOCQPLR-UHFFFAOYSA-N
MW275.06 g/mol
LogP1.63
Rot. Bonds3

About 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide

2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 4089912) has the molecular formula C8H7BrN2O4 and a molecular weight of 275.06 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID4089912
Molecular FormulaC8H7BrN2O4
Molecular Weight275.06 g/mol
Exact Mass273.96
IUPAC Name2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CBr)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)
InChIKeySTWBNOBMOCQPLR-UHFFFAOYSA-N
XLogP1.63
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103894337
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 56766376
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 4089912) is 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide is O=C(CBr)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is STWBNOBMOCQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13).
What are the key properties of 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide?
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 275.06 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 4089912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).