4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H11ClF2N2O2 — CID 107666251

IUPAC4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2cc(Cl)ccc2F)c(F)c1
InChIInChI=1S/C14H11ClF2N2O2/c15-10-2-3-11(16)9(5-10)7-21-13-4-1-8(6-12(13)17)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyOONZMLFIUOLVQE-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.29
Rot. Bonds4

About 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107666251) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107666251
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2cc(Cl)ccc2F)c(F)c1
InChIInChI=1S/C14H11ClF2N2O2/c15-10-2-3-11(16)9(5-10)7-21-13-4-1-8(6-12(13)17)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyOONZMLFIUOLVQE-UHFFFAOYSA-N
XLogP3.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.29
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-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
4-[(2,6-dimethylphenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666471
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666206
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692530
4-[(3,4-difluorophenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43554799
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 107666251) is 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCc2cc(Cl)ccc2F)c(F)c1.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is OONZMLFIUOLVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-10-2-3-11(16)9(5-10)7-21-13-4-1-8(6-12(13)17)14(18)19-20/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 312.70 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107666251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).