N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide

C18H18BrNO4 — CID 17201671

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C18H18BrNO4/c1-11-6-14(19)7-12(2)18(11)20-17(22)10-24-15-5-4-13(9-21)8-16(15)23-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyJBPUITNCRQTSPC-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.90
Rot. Bonds6

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

N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide (PubChem CID 17201671) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
PubChem CID17201671
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C18H18BrNO4/c1-11-6-14(19)7-12(2)18(11)20-17(22)10-24-15-5-4-13(9-21)8-16(15)23-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyJBPUITNCRQTSPC-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.90
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-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 26217987
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 6903754
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
N'-[(Z)-[4-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126162622
N-(4-bromo-2,6-dimethylphenyl)-2-[2-methoxy-4-[(Z)-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 126245749
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
N'-[(Z)-[4-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126177263
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide (CID 17201671) is N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide is COc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is JBPUITNCRQTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-11-6-14(19)7-12(2)18(11)20-17(22)10-24-15-5-4-13(9-21)8-16(15)23-3/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 392.25 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 17201671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).