3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide

C11H16FN3O — CID 77029557

IUPAC3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide
SMILESCc1ccc(F)cc1NCC(C)C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-7-3-4-9(12)5-10(7)14-6-8(2)11(13)15-16/h3-5,8,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyMRTUMUUUKDCHQG-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.93
Rot. Bonds4

About 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide

3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77029557) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID77029557
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide
SMILESCc1ccc(F)cc1NCC(C)C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-7-3-4-9(12)5-10(7)14-6-8(2)11(13)15-16/h3-5,8,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyMRTUMUUUKDCHQG-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.93
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

3-(2,4-difluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027484
3-(2-chloro-4-fluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027933
3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025358
N-(5-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926207
3-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910673
3-[(5-fluoro-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029984
5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875814
1-(5-fluoro-2-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62379802
1-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(3-fluorophenyl)urea
CID 76953085
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55102286
2-[(2,5-dimethylanilino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77027108
N-(1-amino-1-hydroxyiminobutan-2-yl)-5-fluoro-2-methylbenzamide
CID 76986011

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide (CID 77029557) is 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide is Cc1ccc(F)cc1NCC(C)C(N)=NO.
What is the InChIKey of 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is MRTUMUUUKDCHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-3-4-9(12)5-10(7)14-6-8(2)11(13)15-16/h3-5,8,14,16H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide?
3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 225.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77029557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).