N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide

C9H17F2N3O3 — CID 107482215

IUPACN-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
SMILESCCC(C(=O)N(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C9H17F2N3O3/c1-2-6(8(12)13-17)9(16)14(3-4-15)5-7(10)11/h6-7,15,17H,2-5H2,1H3,(H2,12,13)
InChIKeyAMOZVLRZRXFKNT-UHFFFAOYSA-N
MW253.25 g/mol
LogP-0.16
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide

N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide (PubChem CID 107482215) has the molecular formula C9H17F2N3O3 and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
PubChem CID107482215
Molecular FormulaC9H17F2N3O3
Molecular Weight253.25 g/mol
Exact Mass253.12
IUPAC NameN-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
SMILESCCC(C(=O)N(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C9H17F2N3O3/c1-2-6(8(12)13-17)9(16)14(3-4-15)5-7(10)11/h6-7,15,17H,2-5H2,1H3,(H2,12,13)
InChIKeyAMOZVLRZRXFKNT-UHFFFAOYSA-N
XLogP-0.16
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)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-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide (CID 107482215) is N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide is CCC(C(=O)N(CCO)CC(F)F)C(N)=NO.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is AMOZVLRZRXFKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O3/c1-2-6(8(12)13-17)9(16)14(3-4-15)5-7(10)11/h6-7,15,17H,2-5H2,1H3,(H2,12,13).
What are the key properties of N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 253.25 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 107482215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).