4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide

C13H10FN3O4 — CID 61038210

IUPAC4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C13H10FN3O4/c14-11-7-9(17(19)20)3-6-12(11)21-10-4-1-8(2-5-10)13(15)16-18/h1-7,18H,(H2,15,16)
InChIKeyPQCSGEFADQKTQM-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.62
Rot. Bonds4

About 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide

4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 61038210) has the molecular formula C13H10FN3O4 and a molecular weight of 291.24 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID61038210
Molecular FormulaC13H10FN3O4
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C13H10FN3O4/c14-11-7-9(17(19)20)3-6-12(11)21-10-4-1-8(2-5-10)13(15)16-18/h1-7,18H,(H2,15,16)
InChIKeyPQCSGEFADQKTQM-UHFFFAOYSA-N
XLogP2.62
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.62
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

3-fluoro-N'-hydroxy-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 43658551
(1S)-1-[4-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370003
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
4-(chloromethyl)-2-fluoro-1-(4-nitrophenoxy)benzene
CID 54915517
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide (CID 61038210) is 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is PQCSGEFADQKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O4/c14-11-7-9(17(19)20)3-6-12(11)21-10-4-1-8(2-5-10)13(15)16-18/h1-7,18H,(H2,15,16).
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide?
4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 291.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61038210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).