3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

C15H14ClFN2O2 — CID 107656951

IUPAC3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-9-2-3-10(15(18)19-20)7-14(9)21-8-11-6-12(17)4-5-13(11)16/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyCUYGOQGCTPQYFT-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.46
Rot. Bonds4

About 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 107656951) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID107656951
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-9-2-3-10(15(18)19-20)7-14(9)21-8-11-6-12(17)4-5-13(11)16/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyCUYGOQGCTPQYFT-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-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102982030
3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656853
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxybenzenecarbothioamide
CID 102616116
3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136744785
3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 102616119
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
4-[(5-fluoro-2-methylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 102981851

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 107656951) is 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1OCc1cc(F)ccc1Cl.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is CUYGOQGCTPQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-2-3-10(15(18)19-20)7-14(9)21-8-11-6-12(17)4-5-13(11)16/h2-7,20H,8H2,1H3,(H2,18,19).
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide 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-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107656951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).