2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide

C16H13BrClNO4 — CID 28913362

IUPAC2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide
SMILESCOc1cc(Br)cc(C=O)c1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H13BrClNO4/c1-22-14-7-11(17)6-10(8-20)16(14)23-9-15(21)19-13-5-3-2-4-12(13)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyJDDKXXPHZMXXLC-UHFFFAOYSA-N
MW398.64 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide

2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide (PubChem CID 28913362) has the molecular formula C16H13BrClNO4 and a molecular weight of 398.64 g/mol. Its IUPAC name is 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide
PubChem CID28913362
Molecular FormulaC16H13BrClNO4
Molecular Weight398.64 g/mol
Exact Mass396.97
IUPAC Name2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide
SMILESCOc1cc(Br)cc(C=O)c1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H13BrClNO4/c1-22-14-7-11(17)6-10(8-20)16(14)23-9-15(21)19-13-5-3-2-4-12(13)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyJDDKXXPHZMXXLC-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.64
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325346
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-chlorophenyl)acetamide
CID 1284879
N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide
CID 126277187
2-(2,4-dibromo-6-formylphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 126272908
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-[2-bromo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2-chlorophenyl)acetamide
CID 126269613
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
CID 4770117
2-(2-amino-6-bromophenoxy)-N-(2-chlorophenyl)acetamide
CID 81499243
4-chloro-N-[(E)-[3,5-dibromo-2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126262697

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide (CID 28913362) is 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide is COc1cc(Br)cc(C=O)c1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide?
The InChIKey is JDDKXXPHZMXXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO4/c1-22-14-7-11(17)6-10(8-20)16(14)23-9-15(21)19-13-5-3-2-4-12(13)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide?
2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide has a molecular weight of 398.64 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 28913362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).