N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide

C10H9BrN2O4 — CID 107076548

IUPACN-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide
SMILESC=C(Br)CNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN2O4/c1-6(11)5-12-10(15)8-4-7(14)2-3-9(8)13(16)17/h2-4,14H,1,5H2,(H,12,15)
InChIKeySEHMUQVJYPQOOV-UHFFFAOYSA-N
MW301.10 g/mol
LogP1.94
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide

N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide (PubChem CID 107076548) has the molecular formula C10H9BrN2O4 and a molecular weight of 301.10 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide
PubChem CID107076548
Molecular FormulaC10H9BrN2O4
Molecular Weight301.10 g/mol
Exact Mass299.97
IUPAC NameN-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide
SMILESC=C(Br)CNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN2O4/c1-6(11)5-12-10(15)8-4-7(14)2-3-9(8)13(16)17/h2-4,14H,1,5H2,(H,12,15)
InChIKeySEHMUQVJYPQOOV-UHFFFAOYSA-N
XLogP1.94
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 51.94
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

5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107076483
N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 102741327
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166
5-hydroxy-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 102741836
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
5-hydroxy-2-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 107076426
N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 102741309
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide (CID 107076548) is N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide is C=C(Br)CNC(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide?
The InChIKey is SEHMUQVJYPQOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4/c1-6(11)5-12-10(15)8-4-7(14)2-3-9(8)13(16)17/h2-4,14H,1,5H2,(H,12,15).
What are the key properties of N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide?
N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide has a molecular weight of 301.10 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 107076548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).