2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide

C15H14ClFN2O2 — CID 114849592

IUPAC2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(OCc2ccc(Cl)cc2F)cc1)=N/O
InChIInChI=1S/C15H14ClFN2O2/c16-12-4-3-11(14(17)8-12)9-21-13-5-1-10(2-6-13)7-15(18)19-20/h1-6,8,20H,7,9H2,(H2,18,19)
InChIKeyXBWNYZKTDOHCGJ-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide

2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide (PubChem CID 114849592) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
PubChem CID114849592
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(OCc2ccc(Cl)cc2F)cc1)=N/O
InChIInChI=1S/C15H14ClFN2O2/c16-12-4-3-11(14(17)8-12)9-21-13-5-1-10(2-6-13)7-15(18)19-20/h1-6,8,20H,7,9H2,(H2,18,19)
InChIKeyXBWNYZKTDOHCGJ-UHFFFAOYSA-N
XLogP3.35
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.35
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

2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
N'-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethane-1,2-diamine
CID 117097512
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795
N'-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propane-1,3-diamine
CID 117097753
2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
CID 102876786

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide (CID 114849592) is 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide is N/C(Cc1ccc(OCc2ccc(Cl)cc2F)cc1)=N/O.
What is the InChIKey of 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The InChIKey is XBWNYZKTDOHCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-4-3-11(14(17)8-12)9-21-13-5-1-10(2-6-13)7-15(18)19-20/h1-6,8,20H,7,9H2,(H2,18,19).
What are the key properties of 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide has a molecular weight of 308.74 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 114849592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).