3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide

C9H10ClN3O4 — CID 55035416

IUPAC3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
SMILESN/C(CCOc1ccc([N+](=O)[O-])c(Cl)c1)=N\O
InChIInChI=1S/C9H10ClN3O4/c10-7-5-6(1-2-8(7)13(15)16)17-4-3-9(11)12-14/h1-2,5,14H,3-4H2,(H2,11,12)
InChIKeyTUNOVIMOOGCPIU-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.76
Rot. Bonds5

About 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide

3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide (PubChem CID 55035416) has the molecular formula C9H10ClN3O4 and a molecular weight of 259.65 g/mol. Its IUPAC name is 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
PubChem CID55035416
Molecular FormulaC9H10ClN3O4
Molecular Weight259.65 g/mol
Exact Mass259.04
IUPAC Name3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
SMILESN/C(CCOc1ccc([N+](=O)[O-])c(Cl)c1)=N\O
InChIInChI=1S/C9H10ClN3O4/c10-7-5-6(1-2-8(7)13(15)16)17-4-3-9(11)12-14/h1-2,5,14H,3-4H2,(H2,11,12)
InChIKeyTUNOVIMOOGCPIU-UHFFFAOYSA-N
XLogP1.76
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.76
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

4-(3-chloro-4-nitrophenoxy)butan-2-one
CID 62111779
2-chloro-1-nitro-4-pent-4-enoxybenzene
CID 78992954
2-chloro-4-(3,3-diethoxypropoxy)-1-nitrobenzene
CID 63630478
2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
CID 78977095
1-(3-chloro-4-nitrophenoxy)-2-methylbutan-2-ol
CID 114496058
3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77002379
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
2-amino-6-(3-chloro-4-nitrophenoxy)-2-methylhexanoic acid
CID 62113975
2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 76935799
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
2-(3-chloro-4-nitrophenoxy)-1-cyclopropylethanone
CID 63904601
2-(3-chloro-4-nitrophenoxy)butanamide
CID 62899545

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide (CID 55035416) is 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide is N/C(CCOc1ccc([N+](=O)[O-])c(Cl)c1)=N\O.
What is the InChIKey of 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is TUNOVIMOOGCPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4/c10-7-5-6(1-2-8(7)13(15)16)17-4-3-9(11)12-14/h1-2,5,14H,3-4H2,(H2,11,12).
What are the key properties of 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide has a molecular weight of 259.65 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 55035416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).