2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide

C15H16FN3O — CID 107929880

IUPAC2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(C)c2ccc(F)cc2)c(/C(N)=N/O)c1
InChIInChI=1S/C15H16FN3O/c1-10-3-8-14(13(9-10)15(17)18-20)19(2)12-6-4-11(16)5-7-12/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyBFFDFYMNXZXELC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107929880) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107929880
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(C)c2ccc(F)cc2)c(/C(N)=N/O)c1
InChIInChI=1S/C15H16FN3O/c1-10-3-8-14(13(9-10)15(17)18-20)19(2)12-6-4-11(16)5-7-12/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyBFFDFYMNXZXELC-UHFFFAOYSA-N
XLogP3.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.00
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'}

Analyze 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N'-hydroxy-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 77004251
4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76930802
2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide
CID 55234516
4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 114904027
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 107929771
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004439
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107929880) is 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(N(C)c2ccc(F)cc2)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is BFFDFYMNXZXELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-3-8-14(13(9-10)15(17)18-20)19(2)12-6-4-11(16)5-7-12/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 273.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).