N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide

C9H9F2N3O2 — CID 76948126

IUPACN-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide
SMILESNC(CNC(=O)c1cccc(F)c1F)=NO
InChIInChI=1S/C9H9F2N3O2/c10-6-3-1-2-5(8(6)11)9(15)13-4-7(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15)
InChIKeyPWSQYUYIYGVSFS-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.44
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide

N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide (PubChem CID 76948126) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide
PubChem CID76948126
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide
SMILESNC(CNC(=O)c1cccc(F)c1F)=NO
InChIInChI=1S/C9H9F2N3O2/c10-6-3-1-2-5(8(6)11)9(15)13-4-7(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15)
InChIKeyPWSQYUYIYGVSFS-UHFFFAOYSA-N
XLogP0.44
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.44
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'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-fluoro-3-methylbenzamide
CID 81477532
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76948104

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide (CID 76948126) is N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide is NC(CNC(=O)c1cccc(F)c1F)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide?
The InChIKey is PWSQYUYIYGVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-6-3-1-2-5(8(6)11)9(15)13-4-7(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide?
N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide has a molecular weight of 229.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2,3-difluorobenzamide is sourced from PubChem (CID 76948126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).