4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide

C12H10BrFN2O2S — CID 107666206

IUPAC4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccc(Br)s2)c(F)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-11-4-2-8(19-11)6-18-10-3-1-7(5-9(10)14)12(15)16-17/h1-5,17H,6H2,(H2,15,16)
InChIKeyVVPLLXVRSDCIKX-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.32
Rot. Bonds4

About 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107666206) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107666206
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccc(Br)s2)c(F)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-11-4-2-8(19-11)6-18-10-3-1-7(5-9(10)14)12(15)16-17/h1-5,17H,6H2,(H2,15,16)
InChIKeyVVPLLXVRSDCIKX-UHFFFAOYSA-N
XLogP3.32
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
4-[(2,6-dimethylphenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666471
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
CID 107558707
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 107666206) is 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCc2ccc(Br)s2)c(F)c1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is VVPLLXVRSDCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-11-4-2-8(19-11)6-18-10-3-1-7(5-9(10)14)12(15)16-17/h1-5,17H,6H2,(H2,15,16).
What are the key properties of 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 345.19 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107666206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).