5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide

C11H14FN3O4 — CID 55068583

IUPAC5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
SMILESN/C(CCCCOc1ccc(F)cc1[N+](=O)[O-])=N/O
InChIInChI=1S/C11H14FN3O4/c12-8-4-5-10(9(7-8)15(17)18)19-6-2-1-3-11(13)14-16/h4-5,7,16H,1-3,6H2,(H2,13,14)
InChIKeyMODDYYJKLHMIIF-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.03
Rot. Bonds7

About 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide

5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide (PubChem CID 55068583) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
PubChem CID55068583
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
SMILESN/C(CCCCOc1ccc(F)cc1[N+](=O)[O-])=N/O
InChIInChI=1S/C11H14FN3O4/c12-8-4-5-10(9(7-8)15(17)18)19-6-2-1-3-11(13)14-16/h4-5,7,16H,1-3,6H2,(H2,13,14)
InChIKeyMODDYYJKLHMIIF-UHFFFAOYSA-N
XLogP2.03
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 109374785
5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
N'-hydroxy-5-(2-methyl-5-nitrophenoxy)pentanimidamide
CID 109374777
3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77002379
hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate
CID 66339484
4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 80695376
bis(4-fluoro-2-nitrophenyl) pentanedioate
CID 4080106
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
CID 55036254

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide (CID 55068583) is 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide is N/C(CCCCOc1ccc(F)cc1[N+](=O)[O-])=N/O.
What is the InChIKey of 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide?
The InChIKey is MODDYYJKLHMIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c12-8-4-5-10(9(7-8)15(17)18)19-6-2-1-3-11(13)14-16/h4-5,7,16H,1-3,6H2,(H2,13,14).
What are the key properties of 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide?
5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide has a molecular weight of 271.25 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 55068583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).