2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide

C17H16BrNO4 — CID 26536729

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H16BrNO4/c1-11(20)12-7-8-15(16(9-12)22-2)23-10-17(21)19-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNIGNDRXRXVRVNN-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide (PubChem CID 26536729) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
PubChem CID26536729
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H16BrNO4/c1-11(20)12-7-8-15(16(9-12)22-2)23-10-17(21)19-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNIGNDRXRXVRVNN-UHFFFAOYSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626142
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7771685
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
methyl 3-methoxy-4-[2-(2-methylsulfonylanilino)-2-oxoethoxy]benzoate
CID 8728892
2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 2109479

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide (CID 26536729) is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide?
The InChIKey is NIGNDRXRXVRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-11(20)12-7-8-15(16(9-12)22-2)23-10-17(21)19-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide has a molecular weight of 378.22 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 26536729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).