2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide

C8H8BrF2N3O — CID 77028981

IUPAC2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide
SMILESNC(CNc1c(F)cc(F)cc1Br)=NO
InChIInChI=1S/C8H8BrF2N3O/c9-5-1-4(10)2-6(11)8(5)13-3-7(12)14-15/h1-2,13,15H,3H2,(H2,12,14)
InChIKeyGFPUCSAOOBCJHS-UHFFFAOYSA-N
MW280.07 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide

2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide (PubChem CID 77028981) has the molecular formula C8H8BrF2N3O and a molecular weight of 280.07 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide
PubChem CID77028981
Molecular FormulaC8H8BrF2N3O
Molecular Weight280.07 g/mol
Exact Mass278.98
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide
SMILESNC(CNc1c(F)cc(F)cc1Br)=NO
InChIInChI=1S/C8H8BrF2N3O/c9-5-1-4(10)2-6(11)8(5)13-3-7(12)14-15/h1-2,13,15H,3H2,(H2,12,14)
InChIKeyGFPUCSAOOBCJHS-UHFFFAOYSA-N
XLogP1.89
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 51.89
H-Bond Donors ≤ 53
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-(4-bromo-2,6-difluoroanilino)-N'-hydroxyethanimidamide
CID 77071872
3-[(2-bromo-4,6-difluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028787
5-(2-bromo-4,6-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063638
1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol
CID 65211096
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
CID 43347758
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
CID 86816004

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide (CID 77028981) is 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide is NC(CNc1c(F)cc(F)cc1Br)=NO.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide?
The InChIKey is GFPUCSAOOBCJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N3O/c9-5-1-4(10)2-6(11)8(5)13-3-7(12)14-15/h1-2,13,15H,3H2,(H2,12,14).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide?
2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide has a molecular weight of 280.07 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77028981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).