2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide

C15H13BrN2O3 — CID 19619525

IUPAC2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1/C=N/O)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O3/c16-12-6-7-14(11(8-12)9-17-20)21-10-15(19)18-13-4-2-1-3-5-13/h1-9,20H,10H2,(H,18,19)/b17-9+
InChIKeySGYLZDMNDIRVNU-RQZCQDPDSA-N
MW349.18 g/mol
LogP3.27
Rot. Bonds5

About 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide

2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 19619525) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
PubChem CID19619525
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1/C=N/O)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O3/c16-12-6-7-14(11(8-12)9-17-20)21-10-15(19)18-13-4-2-1-3-5-13/h1-9,20H,10H2,(H,18,19)/b17-9+
InChIKeySGYLZDMNDIRVNU-RQZCQDPDSA-N
XLogP3.27
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19619528
2-[4-bromo-2-[(Z)-hydroxyiminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 40596480
2-[4-bromo-2-[(2,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221517
2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126206286
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
CID 126181829
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 57365578
2-[5-bromo-2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19617616
2-[4-bromo-2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126050456
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-[(2S)-butan-2-yl]oxamide
CID 126274900
N-[(E)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-3-nitrobenzamide
CID 126271040
2-[4-bromo-2-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126313098
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide (CID 19619525) is 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide is O=C(COc1ccc(Br)cc1/C=N/O)Nc1ccccc1.
What is the InChIKey of 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is SGYLZDMNDIRVNU-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-12-6-7-14(11(8-12)9-17-20)21-10-15(19)18-13-4-2-1-3-5-13/h1-9,20H,10H2,(H,18,19)/b17-9+.
What are the key properties of 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 349.18 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 19619525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).