4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate

C13H8ClN2O4- — CID 7038591

IUPAC4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate
SMILESO=C(Nc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C13H9ClN2O4/c14-8-6-10(12(17)11(7-8)16(19)20)13(18)15-9-4-2-1-3-5-9/h1-7,17H,(H,15,18)/p-1
InChIKeyGRRJJWXJFONNIM-UHFFFAOYSA-M
MW291.67 g/mol
LogP2.57
Rot. Bonds3

About 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate

4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate (PubChem CID 7038591) has the molecular formula C13H8ClN2O4- and a molecular weight of 291.67 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate.

Molecular Properties

Compound Name4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate
PubChem CID7038591
Molecular FormulaC13H8ClN2O4-
Molecular Weight291.67 g/mol
Exact Mass291.02
IUPAC Name4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate
SMILESO=C(Nc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C13H9ClN2O4/c14-8-6-10(12(17)11(7-8)16(19)20)13(18)15-9-4-2-1-3-5-9/h1-7,17H,(H,15,18)/p-1
InChIKeyGRRJJWXJFONNIM-UHFFFAOYSA-M
XLogP2.57
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 52.57
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

5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
2-[(4-methylphenyl)carbamoyl]-4,6-dinitrophenolate
CID 7038048
5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
CID 2986929
2,3-dinitro-N-phenylbenzamide
CID 18931494
[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite
CID 174856646
4-chloro-2-(cyclohexylcarbamoyl)-6-nitrophenolate
CID 7038580
2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
CID 2775590
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
CID 10183406
3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
CID 57352159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate?
The IUPAC name of 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate (CID 7038591) is 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate.
What is the SMILES notation for 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate?
The canonical SMILES for 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate is O=C(Nc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate?
The InChIKey is GRRJJWXJFONNIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9ClN2O4/c14-8-6-10(12(17)11(7-8)16(19)20)13(18)15-9-4-2-1-3-5-9/h1-7,17H,(H,15,18)/p-1.
What are the key properties of 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate?
4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate has a molecular weight of 291.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate is sourced from PubChem (CID 7038591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).