2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide

C15H11Br2NO3 — CID 4770117

IUPAC2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
SMILESO=Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C15H11Br2NO3/c16-11-6-10(8-19)15(13(17)7-11)21-9-14(20)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,18,20)
InChIKeyJBBWNVLIDUUPLX-UHFFFAOYSA-N
MW413.07 g/mol
LogP4.04
Rot. Bonds5

About 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide

2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide (PubChem CID 4770117) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
PubChem CID4770117
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Name2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
SMILESO=Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C15H11Br2NO3/c16-11-6-10(8-19)15(13(17)7-11)21-9-14(20)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,18,20)
InChIKeyJBBWNVLIDUUPLX-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 126272908
(Z)-3-[2-(2-anilino-2-oxoethoxy)-3,5-dibromophenyl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 126271226
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 107741251
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123513
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676
(E)-2-cyano-3-[3,5-dibromo-2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]-N-phenylprop-2-enamide
CID 126267747
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19619525

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide (CID 4770117) is 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide is O=Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide?
The InChIKey is JBBWNVLIDUUPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c16-11-6-10(8-19)15(13(17)7-11)21-9-14(20)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,18,20).
What are the key properties of 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide?
2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide has a molecular weight of 413.07 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 4770117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).