2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide

C9H9BrN2O4 — CID 107906031

IUPAC2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
SMILESCC(Br)C(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9BrN2O4/c1-5(10)9(14)11-8-6(12(15)16)3-2-4-7(8)13/h2-5,13H,1H3,(H,11,14)
InChIKeyYJARYDDKMFBQKU-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.02
Rot. Bonds3

About 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide

2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide (PubChem CID 107906031) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.09 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
PubChem CID107906031
Molecular FormulaC9H9BrN2O4
Molecular Weight289.09 g/mol
Exact Mass287.97
IUPAC Name2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
SMILESCC(Br)C(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9BrN2O4/c1-5(10)9(14)11-8-6(12(15)16)3-2-4-7(8)13/h2-5,13H,1H3,(H,11,14)
InChIKeyYJARYDDKMFBQKU-UHFFFAOYSA-N
XLogP2.02
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.02
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

N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
CID 107681464
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310717
2-(2,6-dinitroanilino)propanoic acid
CID 89114421
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide (CID 107906031) is 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide is CC(Br)C(=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide?
The InChIKey is YJARYDDKMFBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c1-5(10)9(14)11-8-6(12(15)16)3-2-4-7(8)13/h2-5,13H,1H3,(H,11,14).
What are the key properties of 2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide?
2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide has a molecular weight of 289.09 g/mol, XLogP of 2.02, 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-6-nitrophenyl)propanamide is sourced from PubChem (CID 107906031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).