3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide

C9H9F2N3O4 — CID 77002379

IUPAC3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOc1cc(F)c([N+](=O)[O-])cc1F)=NO
InChIInChI=1S/C9H9F2N3O4/c10-5-4-8(18-2-1-9(12)13-15)6(11)3-7(5)14(16)17/h3-4,15H,1-2H2,(H2,12,13)
InChIKeyUDCPBRKZWNURBL-UHFFFAOYSA-N
MW261.18 g/mol
LogP1.39
Rot. Bonds5

About 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide

3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide (PubChem CID 77002379) has the molecular formula C9H9F2N3O4 and a molecular weight of 261.18 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide
PubChem CID77002379
Molecular FormulaC9H9F2N3O4
Molecular Weight261.18 g/mol
Exact Mass261.06
IUPAC Name3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOc1cc(F)c([N+](=O)[O-])cc1F)=NO
InChIInChI=1S/C9H9F2N3O4/c10-5-4-8(18-2-1-9(12)13-15)6(11)3-7(5)14(16)17/h3-4,15H,1-2H2,(H2,12,13)
InChIKeyUDCPBRKZWNURBL-UHFFFAOYSA-N
XLogP1.39
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 51.39
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'}

Analyze 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide 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

3-(2,5-difluoro-4-nitrophenoxy)propan-1-ol
CID 63597608
1-(3-chloropropoxy)-2,5-difluoro-4-nitrobenzene
CID 63599005
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
CID 55068583
1-but-3-ynoxy-2,5-difluoro-4-nitrobenzene
CID 63655228
3-(2,5-difluoro-4-nitrophenoxy)propanal
CID 63597616
methyl 4-(2,5-difluoro-4-nitrophenoxy)-2-(methylamino)butanoate
CID 63599736
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
2-(2,5-difluoro-4-nitrophenoxy)acetic acid
CID 63600039
2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide
CID 55217418
3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 55035416
5-(2,5-difluoro-4-nitrophenoxy)-2,2-dimethylpentanimidamide
CID 65258662

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide (CID 77002379) is 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide is NC(CCOc1cc(F)c([N+](=O)[O-])cc1F)=NO.
What is the InChIKey of 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is UDCPBRKZWNURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O4/c10-5-4-8(18-2-1-9(12)13-15)6(11)3-7(5)14(16)17/h3-4,15H,1-2H2,(H2,12,13).
What are the key properties of 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide?
3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide has a molecular weight of 261.18 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77002379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).