5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

C14H22FN3O — CID 55233101

IUPAC5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCC(C)CN(c1ccc(F)cc1C(N)=NO)C(C)C
InChIInChI=1S/C14H22FN3O/c1-9(2)8-18(10(3)4)13-6-5-11(15)7-12(13)14(16)17-19/h5-7,9-10,19H,8H2,1-4H3,(H2,16,17)
InChIKeyNORQEPADSGDHIV-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.79
Rot. Bonds5

About 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 55233101) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID55233101
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCC(C)CN(c1ccc(F)cc1C(N)=NO)C(C)C
InChIInChI=1S/C14H22FN3O/c1-9(2)8-18(10(3)4)13-6-5-11(15)7-12(13)14(16)17-19/h5-7,9-10,19H,8H2,1-4H3,(H2,16,17)
InChIKeyNORQEPADSGDHIV-UHFFFAOYSA-N
XLogP2.79
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (CID 55233101) is 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is CC(C)CN(c1ccc(F)cc1C(N)=NO)C(C)C.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is NORQEPADSGDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-9(2)8-18(10(3)4)13-6-5-11(15)7-12(13)14(16)17-19/h5-7,9-10,19H,8H2,1-4H3,(H2,16,17).
What are the key properties of 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 267.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 55233101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).