2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide

C16H16BrNO4 — CID 2303718

IUPAC2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H16BrNO4/c1-20-14-8-5-12(9-15(14)21-2)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHWBYARIGISYZQZ-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide

2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2303718) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2303718
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Name2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H16BrNO4/c1-20-14-8-5-12(9-15(14)21-2)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHWBYARIGISYZQZ-UHFFFAOYSA-N
XLogP3.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624151
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678401
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide (CID 2303718) is 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is HWBYARIGISYZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-20-14-8-5-12(9-15(14)21-2)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 366.21 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2303718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).