3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide

C11H16FN3O — CID 77028768

IUPAC3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1ccc(NC(C)CC(N)=NO)c(F)c1
InChIInChI=1S/C11H16FN3O/c1-7-3-4-10(9(12)5-7)14-8(2)6-11(13)15-16/h3-5,8,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyOJISCTVNNYQQPE-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.07
Rot. Bonds4

About 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide

3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide (PubChem CID 77028768) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
PubChem CID77028768
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1ccc(NC(C)CC(N)=NO)c(F)c1
InChIInChI=1S/C11H16FN3O/c1-7-3-4-10(9(12)5-7)14-8(2)6-11(13)15-16/h3-5,8,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyOJISCTVNNYQQPE-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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-(4-chloro-2-fluoroanilino)-N'-hydroxybutanimidamide
CID 77030728
3-(5-bromo-4-fluoro-2-methylanilino)-N'-hydroxybutanimidamide
CID 107592821
3-[4-bromo-2-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77027358
3-(5-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77029430
3-(2-fluoro-4-methylanilino)-2-methylbutan-2-ol
CID 65332580
3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
CID 104724441
3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926221
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
N'-hydroxy-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanimidamide
CID 81355743

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide (CID 77028768) is 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide is Cc1ccc(NC(C)CC(N)=NO)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide?
The InChIKey is OJISCTVNNYQQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-3-4-10(9(12)5-7)14-8(2)6-11(13)15-16/h3-5,8,14,16H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide?
3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide has a molecular weight of 225.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77028768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).