2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide

C17H18BrNO4 — CID 113098835

IUPAC2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C17H18BrNO4/c1-21-14-9-12(10-15(22-2)17(14)23-3)19-16(20)8-11-6-4-5-7-13(11)18/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeyVPOSINCZYBYNNR-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.66
Rot. Bonds6

About 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113098835) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113098835
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C17H18BrNO4/c1-21-14-9-12(10-15(22-2)17(14)23-3)19-16(20)8-11-6-4-5-7-13(11)18/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeyVPOSINCZYBYNNR-UHFFFAOYSA-N
XLogP3.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
N-(3-bromo-4-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78955856
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2584092
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113098835) is 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2ccccc2Br)cc(OC)c1OC.
What is the InChIKey of 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VPOSINCZYBYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-21-14-9-12(10-15(22-2)17(14)23-3)19-16(20)8-11-6-4-5-7-13(11)18/h4-7,9-10H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 380.24 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113098835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).