4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C15H14BrFN2O2 — CID 82806150

IUPAC4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H14BrFN2O2/c16-13-3-1-2-10(6-13)8-21-9-12-5-4-11(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyPJSADWOHDGULCN-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.40
Rot. Bonds5

About 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 82806150) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID82806150
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H14BrFN2O2/c16-13-3-1-2-10(6-13)8-21-9-12-5-4-11(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyPJSADWOHDGULCN-UHFFFAOYSA-N
XLogP3.40
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.40
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-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765
3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096
3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24708972
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667692
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483296
3-fluoro-4-(phenylmethoxymethyl)benzenecarbothioamide
CID 24690791
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283920
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000
4-[(3,4-difluorophenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43554799

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 82806150) is 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(COCc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PJSADWOHDGULCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-13-3-1-2-10(6-13)8-21-9-12-5-4-11(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19).
What are the key properties of 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 353.19 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82806150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).