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

C16H16BrNO3 — CID 2682877

IUPAC2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H16BrNO3/c1-20-14-8-7-13(10-15(14)21-2)18-16(19)9-11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyIWTUSPZHYLKSDF-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.65
Rot. Bonds5

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

2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2682877) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2682877
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H16BrNO3/c1-20-14-8-7-13(10-15(14)21-2)18-16(19)9-11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyIWTUSPZHYLKSDF-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769222
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide (CID 2682877) is 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is IWTUSPZHYLKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-14-8-7-13(10-15(14)21-2)18-16(19)9-11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 350.21 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2682877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).