3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide

C11H14FN3O2 — CID 76926221

IUPAC3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C(N)=NO)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-6-3-4-9(8(12)5-6)14-11(16)7(2)10(13)15-17/h3-5,7,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyXONMVKRTHWRYBT-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.46
Rot. Bonds3

About 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76926221) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76926221
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C(N)=NO)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-6-3-4-9(8(12)5-6)14-11(16)7(2)10(13)15-17/h3-5,7,17H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyXONMVKRTHWRYBT-UHFFFAOYSA-N
XLogP1.46
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.46
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-fluoro-4-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926222
N-(2-fluoro-4-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80591449
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 81274652
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926138
2-ethyl-N-(2-fluoro-4-methylphenyl)pentanamide
CID 145282464
3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028768
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926139
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 61148606
N-(4-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925915

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide (CID 76926221) is 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C(N)=NO)c(F)c1.
What is the InChIKey of 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is XONMVKRTHWRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-6-3-4-9(8(12)5-6)14-11(16)7(2)10(13)15-17/h3-5,7,17H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 239.25 g/mol, XLogP of 1.46, 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-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76926221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).