5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H11Br2FN2O2 — CID 83136108

IUPAC5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H11Br2FN2O2/c15-9-2-4-13(11(5-9)14(18)19-20)21-7-8-1-3-10(17)6-12(8)16/h1-6,20H,7H2,(H2,18,19)
InChIKeyNDNSPZYNRCEEJL-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.02
Rot. Bonds4

About 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 83136108) has the molecular formula C14H11Br2FN2O2 and a molecular weight of 418.06 g/mol. Its IUPAC name is 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID83136108
Molecular FormulaC14H11Br2FN2O2
Molecular Weight418.06 g/mol
Exact Mass415.92
IUPAC Name5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H11Br2FN2O2/c15-9-2-4-13(11(5-9)14(18)19-20)21-7-8-1-3-10(17)6-12(8)16/h1-6,20H,7H2,(H2,18,19)
InChIKeyNDNSPZYNRCEEJL-UHFFFAOYSA-N
XLogP4.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 54.02
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-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994227
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
2-bromo-1-[(4-bromo-2-propan-2-ylphenoxy)methyl]-4-fluorobenzene
CID 115402119
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 83136108) is 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1OCc1ccc(F)cc1Br.
What is the InChIKey of 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is NDNSPZYNRCEEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O2/c15-9-2-4-13(11(5-9)14(18)19-20)21-7-8-1-3-10(17)6-12(8)16/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 418.06 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 83136108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).