N-hydroxy-3-nitro-2-phenylbenzamide

C13H10N2O4 — CID 173392497

IUPACN-hydroxy-3-nitro-2-phenylbenzamide
SMILESO=C(NO)c1cccc([N+](=O)[O-])c1-c1ccccc1
InChIInChI=1S/C13H10N2O4/c16-13(14-17)10-7-4-8-11(15(18)19)12(10)9-5-2-1-3-6-9/h1-8,17H,(H,14,16)
InChIKeyJSONXWGJJNEOLA-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.38
Rot. Bonds3

About N-hydroxy-3-nitro-2-phenylbenzamide

N-hydroxy-3-nitro-2-phenylbenzamide (PubChem CID 173392497) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-hydroxy-3-nitro-2-phenylbenzamide.

Molecular Properties

Compound NameN-hydroxy-3-nitro-2-phenylbenzamide
PubChem CID173392497
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC NameN-hydroxy-3-nitro-2-phenylbenzamide
SMILESO=C(NO)c1cccc([N+](=O)[O-])c1-c1ccccc1
InChIInChI=1S/C13H10N2O4/c16-13(14-17)10-7-4-8-11(15(18)19)12(10)9-5-2-1-3-6-9/h1-8,17H,(H,14,16)
InChIKeyJSONXWGJJNEOLA-UHFFFAOYSA-N
XLogP2.38
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
4-(2,6-dinitrophenyl)benzoic acid
CID 150181338
sodium;hydride;3-nitro-2-phenylphenol
CID 175105710
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
benzene;2-nitrobenzoic acid
CID 19891435
2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 47028167
3-nitro-2-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 174458220
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
2,3-dinitro-N-phenylbenzamide
CID 18931494
sodium;hydride;2-nitrobenzoic acid
CID 173210089
2-nitro-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 3027130

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-nitro-2-phenylbenzamide?
The IUPAC name of N-hydroxy-3-nitro-2-phenylbenzamide (CID 173392497) is N-hydroxy-3-nitro-2-phenylbenzamide.
What is the SMILES notation for N-hydroxy-3-nitro-2-phenylbenzamide?
The canonical SMILES for N-hydroxy-3-nitro-2-phenylbenzamide is O=C(NO)c1cccc([N+](=O)[O-])c1-c1ccccc1.
What is the InChIKey of N-hydroxy-3-nitro-2-phenylbenzamide?
The InChIKey is JSONXWGJJNEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-13(14-17)10-7-4-8-11(15(18)19)12(10)9-5-2-1-3-6-9/h1-8,17H,(H,14,16).
What are the key properties of N-hydroxy-3-nitro-2-phenylbenzamide?
N-hydroxy-3-nitro-2-phenylbenzamide has a molecular weight of 258.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-nitro-2-phenylbenzamide is sourced from PubChem (CID 173392497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).