[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite

C13H9ClN2O4 — CID 174856646

IUPAC[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite
SMILESO=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1OCl
InChIInChI=1S/C13H9ClN2O4/c14-20-12-10(7-4-8-11(12)16(18)19)13(17)15-9-5-2-1-3-6-9/h1-8H,(H,15,17)
InChIKeyGYDZOUMCCANMPG-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.38
Rot. Bonds4

About [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite

[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite (PubChem CID 174856646) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite.

Molecular Properties

Compound Name[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite
PubChem CID174856646
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite
SMILESO=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1OCl
InChIInChI=1S/C13H9ClN2O4/c14-20-12-10(7-4-8-11(12)16(18)19)13(17)15-9-5-2-1-3-6-9/h1-8H,(H,15,17)
InChIKeyGYDZOUMCCANMPG-UHFFFAOYSA-N
XLogP3.38
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
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

2,3-dinitro-N-phenylbenzamide
CID 18931494
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate
CID 7038591

Frequently Asked Questions

What is the IUPAC name of [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite?
The IUPAC name of [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite (CID 174856646) is [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite.
What is the SMILES notation for [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite?
The canonical SMILES for [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite is O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1OCl.
What is the InChIKey of [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite?
The InChIKey is GYDZOUMCCANMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-20-12-10(7-4-8-11(12)16(18)19)13(17)15-9-5-2-1-3-6-9/h1-8H,(H,15,17).
What are the key properties of [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite?
[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite has a molecular weight of 292.68 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite is sourced from PubChem (CID 174856646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).