3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C15H14ClFN2O2 — CID 102982030

IUPAC3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(F)cc1OCc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-9-2-5-12(17)7-14(9)21-8-11-4-3-10(6-13(11)16)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyVOJAMISAXQHOSU-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.46
Rot. Bonds4

About 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102982030) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102982030
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(F)cc1OCc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-9-2-5-12(17)7-14(9)21-8-11-4-3-10(6-13(11)16)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyVOJAMISAXQHOSU-UHFFFAOYSA-N
XLogP3.46
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.46
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-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656951
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656853
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136744785
4-[(5-fluoro-2-methylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 102981851
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609277
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
4-fluoro-3-[(5-fluoro-2-methylphenoxy)methyl]benzenecarbothioamide
CID 102981854

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 102982030) is 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is Cc1ccc(F)cc1OCc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is VOJAMISAXQHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-2-5-12(17)7-14(9)21-8-11-4-3-10(6-13(11)16)15(18)19-20/h2-7,20H,8H2,1H3,(H2,18,19).
What are the key properties of 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 308.74 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102982030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).