5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide

C13H10ClN3O4 — CID 76944716

IUPAC5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O4/c14-8-5-6-11(9(7-8)13(15)16-18)21-12-4-2-1-3-10(12)17(19)20/h1-7,18H,(H2,15,16)
InChIKeySYANCLGMKACOFK-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.13
Rot. Bonds4

About 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide

5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide (PubChem CID 76944716) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide
PubChem CID76944716
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O4/c14-8-5-6-11(9(7-8)13(15)16-18)21-12-4-2-1-3-10(12)17(19)20/h1-7,18H,(H2,15,16)
InChIKeySYANCLGMKACOFK-UHFFFAOYSA-N
XLogP3.13
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
CID 73050036
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
N'-hydroxy-4-(2-methylphenoxy)-3-nitrobenzenecarboximidamide
CID 76935049
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
1,3,5-trichloro-2-(2-nitrophenoxy)benzene
CID 2306205
(2-nitrophenyl) (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1013718
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-(2-nitrophenoxy)benzoic acid
CID 19922477
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-one
CID 115994733

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide (CID 76944716) is 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide is NC(=NO)c1cc(Cl)ccc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide?
The InChIKey is SYANCLGMKACOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-8-5-6-11(9(7-8)13(15)16-18)21-12-4-2-1-3-10(12)17(19)20/h1-7,18H,(H2,15,16).
What are the key properties of 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide?
5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide has a molecular weight of 307.69 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 76944716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).