4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide

C15H16FN3O — CID 76930802

IUPAC4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(N(C)c2ccc(C(N)=NO)cc2F)cc1
InChIInChI=1S/C15H16FN3O/c1-10-3-6-12(7-4-10)19(2)14-8-5-11(9-13(14)16)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyXMJMYPAVFYWHJL-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.00
Rot. Bonds3

About 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 76930802) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID76930802
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(N(C)c2ccc(C(N)=NO)cc2F)cc1
InChIInChI=1S/C15H16FN3O/c1-10-3-6-12(7-4-10)19(2)14-8-5-11(9-13(14)16)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyXMJMYPAVFYWHJL-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'}

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Related Compounds

3-fluoro-N'-hydroxy-4-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 76931137
2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929880
4-[butan-2-yl(methyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658169
3-fluoro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632369
6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
CID 76930776
3-fluoro-N'-hydroxy-4-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 81055754
4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 114904027
3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984280
4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 103189151
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
4-(N,4-dimethylanilino)-3,5-difluorobenzenecarbothioamide
CID 81285451
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437

Frequently Asked Questions

What is the IUPAC name of 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 76930802) is 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide is Cc1ccc(N(C)c2ccc(C(N)=NO)cc2F)cc1.
What is the InChIKey of 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is XMJMYPAVFYWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-3-6-12(7-4-10)19(2)14-8-5-11(9-13(14)16)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide 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 4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76930802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).