N-[1-(4-bromophenyl)ethenylamino]oxyacetamide

C10H11BrN2O2 — CID 57147018

IUPACN-[1-(4-bromophenyl)ethenylamino]oxyacetamide
SMILESC=C(NONC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2/c1-7(12-15-13-8(2)14)9-3-5-10(11)6-4-9/h3-6,12H,1H2,2H3,(H,13,14)
InChIKeyPVEPJEMPVNMUCT-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.99
Rot. Bonds4

About N-[1-(4-bromophenyl)ethenylamino]oxyacetamide

N-[1-(4-bromophenyl)ethenylamino]oxyacetamide (PubChem CID 57147018) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethenylamino]oxyacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethenylamino]oxyacetamide
PubChem CID57147018
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC NameN-[1-(4-bromophenyl)ethenylamino]oxyacetamide
SMILESC=C(NONC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2/c1-7(12-15-13-8(2)14)9-3-5-10(11)6-4-9/h3-6,12H,1H2,2H3,(H,13,14)
InChIKeyPVEPJEMPVNMUCT-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-bromophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
CID 135070673
N-(1-(4-bromophenyl)vinyl)acetamide
CID 11356870
N-[1-(3-Bromophenyl)ethenyl]acetamide
CID 15261585
1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
CID 57308211
N-[1-(4-bromo-2-fluorophenyl)ethenyl]acetamide
CID 69571818
N-[(Z)-1-(4-bromo-2-fluorophenyl)prop-1-enyl]acetamide
CID 163537891
N-[(E)-1-(4-bromophenyl)prop-1-enyl]acetamide
CID 71506969
N-[(Z)-1-(4-bromophenyl)-2-iodoethenyl]acetamide
CID 102220855
1-bromo-4-[(E)-1-isocyanatoprop-1-enyl]benzene
CID 134988360
(E)-3-(4-bromophenyl)-N-methoxyprop-2-enamide
CID 11010571
N-[1-(2-bromophenyl)ethenyl]acetamide
CID 15261577
6-[(4-Bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one
CID 24788161

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethenylamino]oxyacetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethenylamino]oxyacetamide (CID 57147018) is N-[1-(4-bromophenyl)ethenylamino]oxyacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethenylamino]oxyacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethenylamino]oxyacetamide is C=C(NONC(C)=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethenylamino]oxyacetamide?
The InChIKey is PVEPJEMPVNMUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-7(12-15-13-8(2)14)9-3-5-10(11)6-4-9/h3-6,12H,1H2,2H3,(H,13,14).
What are the key properties of N-[1-(4-bromophenyl)ethenylamino]oxyacetamide?
N-[1-(4-bromophenyl)ethenylamino]oxyacetamide has a molecular weight of 271.11 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethenylamino]oxyacetamide is sourced from PubChem (CID 57147018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).