3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide

C10H12FN3O2 — CID 76930705

IUPAC3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
SMILESCN(C(=O)CC(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C10H12FN3O2/c1-14(10(15)6-9(12)13-16)8-4-2-7(11)3-5-8/h2-5,16H,6H2,1H3,(H2,12,13)
InChIKeyVWBLUMKMLDAMPL-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.93
Rot. Bonds3

About 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide

3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide (PubChem CID 76930705) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
PubChem CID76930705
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
SMILESCN(C(=O)CC(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C10H12FN3O2/c1-14(10(15)6-9(12)13-16)8-4-2-7(11)3-5-8/h2-5,16H,6H2,1H3,(H2,12,13)
InChIKeyVWBLUMKMLDAMPL-UHFFFAOYSA-N
XLogP0.93
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.93
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'}

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Related Compounds

(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
CID 55135186
2-amino-N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]acetamide
CID 83624523
7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
CID 76931380
N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76930717
4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 46860302
2-(3,5-dichloroanilino)-N-(4-fluorophenyl)-N-methylacetamide
CID 154666950
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide?
The IUPAC name of 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide (CID 76930705) is 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide is CN(C(=O)CC(N)=NO)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide?
The InChIKey is VWBLUMKMLDAMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-14(10(15)6-9(12)13-16)8-4-2-7(11)3-5-8/h2-5,16H,6H2,1H3,(H2,12,13).
What are the key properties of 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide?
3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide has a molecular weight of 225.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide is sourced from PubChem (CID 76930705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).