N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide

C11H14FN3O2 — CID 76925907

IUPACN-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)Nc1ccc(F)cc1)C(N)=NO
InChIInChI=1S/C11H14FN3O2/c1-2-9(10(13)15-17)11(16)14-8-5-3-7(12)4-6-8/h3-6,9,17H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyGOWXVKSQBUQGQA-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.54
Rot. Bonds4

About N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide

N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76925907) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76925907
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)Nc1ccc(F)cc1)C(N)=NO
InChIInChI=1S/C11H14FN3O2/c1-2-9(10(13)15-17)11(16)14-8-5-3-7(12)4-6-8/h3-6,9,17H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyGOWXVKSQBUQGQA-UHFFFAOYSA-N
XLogP1.54
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.54
H-Bond Donors ≤ 53
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 N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide 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 N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76925907) is N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)Nc1ccc(F)cc1)C(N)=NO.
What is the InChIKey of N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is GOWXVKSQBUQGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-2-9(10(13)15-17)11(16)14-8-5-3-7(12)4-6-8/h3-6,9,17H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 239.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76925907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).