3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide

C9H10FN3O2 — CID 53397139

IUPAC3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide
SMILESNC(CC(=O)Nc1ccccc1F)=NO
InChIInChI=1S/C9H10FN3O2/c10-6-3-1-2-4-7(6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14)
InChIKeyPFYSKMIHXHBTRW-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.90
Rot. Bonds3

About 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide

3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide (PubChem CID 53397139) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide
PubChem CID53397139
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide
SMILESNC(CC(=O)Nc1ccccc1F)=NO
InChIInChI=1S/C9H10FN3O2/c10-6-3-1-2-4-7(6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14)
InChIKeyPFYSKMIHXHBTRW-UHFFFAOYSA-N
XLogP0.90
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.90
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'-(2-fluorophenyl)propanediamide
CID 70002209
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741
N-(2-fluorophenyl)butanamide
CID 849021
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
2-ethyl-N-(2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920358
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide (CID 53397139) is 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide is NC(CC(=O)Nc1ccccc1F)=NO.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide?
The InChIKey is PFYSKMIHXHBTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-6-3-1-2-4-7(6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14).
What are the key properties of 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide?
3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide has a molecular weight of 211.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 53397139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).