4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C16H17FN2O2 — CID 43185385

IUPAC4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)cc(OCc2ccc(/C(N)=N/O)cc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-5-11(2)7-14(6-10)21-9-13-4-3-12(8-15(13)17)16(18)19-20/h3-8,20H,9H2,1-2H3,(H2,18,19)
InChIKeyMFAGBBNEQZKWSB-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.12
Rot. Bonds4

About 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43185385) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43185385
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)cc(OCc2ccc(/C(N)=N/O)cc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-5-11(2)7-14(6-10)21-9-13-4-3-12(8-15(13)17)16(18)19-20/h3-8,20H,9H2,1-2H3,(H2,18,19)
InChIKeyMFAGBBNEQZKWSB-UHFFFAOYSA-N
XLogP3.12
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.12
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

4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
4-[(3,4-difluorophenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43554799
4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
3-fluoro-N'-hydroxy-4-(2-methylbutan-2-yloxymethyl)benzenecarboximidamide
CID 43128405
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24708972
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096
N'-hydroxy-3-methyl-4-[(4-methylsulfanylphenoxy)methyl]benzenecarboximidamide
CID 114483292

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43185385) is 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is Cc1cc(C)cc(OCc2ccc(/C(N)=N/O)cc2F)c1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is MFAGBBNEQZKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-5-11(2)7-14(6-10)21-9-13-4-3-12(8-15(13)17)16(18)19-20/h3-8,20H,9H2,1-2H3,(H2,18,19).
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 288.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43185385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).