(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide

C8H8BrN3O2 — CID 53275070

IUPAC(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide
SMILESN/C(=N/O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H8BrN3O2/c9-5-1-3-6(4-2-5)11-8(13)7(10)12-14/h1-4,14H,(H2,10,12)(H,11,13)
InChIKeyIZHXVIIDMZLSQJ-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.13
Rot. Bonds1

About (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide

(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide (PubChem CID 53275070) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide
PubChem CID53275070
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide
SMILESN/C(=N/O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H8BrN3O2/c9-5-1-3-6(4-2-5)11-8(13)7(10)12-14/h1-4,14H,(H2,10,12)(H,11,13)
InChIKeyIZHXVIIDMZLSQJ-UHFFFAOYSA-N
XLogP1.13
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.13
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-amino-N-(4-chlorophenyl)-2-hydroxyiminoacetamide
CID 6846906
(4-bromophenyl)urea
CID 16074
(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53274904
N'-(4-bromophenyl)propanediamide
CID 15154636
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
CID 717412
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide (CID 53275070) is (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide is N/C(=N/O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide?
The InChIKey is IZHXVIIDMZLSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-5-1-3-6(4-2-5)11-8(13)7(10)12-14/h1-4,14H,(H2,10,12)(H,11,13).
What are the key properties of (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide?
(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide has a molecular weight of 258.07 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 53275070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).