4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide

C15H13FN6O2 — CID 155663788

IUPAC4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccc(F)cc2)c(-n2cnnn2)c1
InChIInChI=1S/C15H13FN6O2/c16-12-4-1-10(2-5-12)8-24-14-6-3-11(15(17)19-23)7-13(14)22-9-18-20-21-22/h1-7,9,23H,8H2,(H2,17,19)
InChIKeyVLDQJEPRHWOJAC-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.47
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide

4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide (PubChem CID 155663788) has the molecular formula C15H13FN6O2 and a molecular weight of 328.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
PubChem CID155663788
Molecular FormulaC15H13FN6O2
Molecular Weight328.31 g/mol
Exact Mass328.11
IUPAC Name4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccc(F)cc2)c(-n2cnnn2)c1
InChIInChI=1S/C15H13FN6O2/c16-12-4-1-10(2-5-12)8-24-14-6-3-11(15(17)19-23)7-13(14)22-9-18-20-21-22/h1-7,9,23H,8H2,(H2,17,19)
InChIKeyVLDQJEPRHWOJAC-UHFFFAOYSA-N
XLogP1.47
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(cyclohexylmethoxy)-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 155663753
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile
CID 155663789
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55618154
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide (CID 155663788) is 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide is NC(=NO)c1ccc(OCc2ccc(F)cc2)c(-n2cnnn2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide?
The InChIKey is VLDQJEPRHWOJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2/c16-12-4-1-10(2-5-12)8-24-14-6-3-11(15(17)19-23)7-13(14)22-9-18-20-21-22/h1-7,9,23H,8H2,(H2,17,19).
What are the key properties of 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide?
4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide has a molecular weight of 328.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 155663788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).