N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide

C17H18BrNO2 — CID 891449

IUPACN-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Br)c(C)c2C)cc1
InChIInChI=1S/C17H18BrNO2/c1-11-12(2)16(9-8-15(11)18)19-17(20)10-13-4-6-14(21-3)7-5-13/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyIHMMQIOFQPXUKU-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.26
Rot. Bonds4

About N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide

N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 891449) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
PubChem CID891449
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Br)c(C)c2C)cc1
InChIInChI=1S/C17H18BrNO2/c1-11-12(2)16(9-8-15(11)18)19-17(20)10-13-4-6-14(21-3)7-5-13/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyIHMMQIOFQPXUKU-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide
CID 46779177
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
CID 8867169
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
N-(4-bromo-2,3-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2212676
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028761
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107638371
N-(4-fluoro-2-iodophenyl)-2-(4-methoxyphenyl)acetamide
CID 79767117

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide (CID 891449) is N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Br)c(C)c2C)cc1.
What is the InChIKey of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is IHMMQIOFQPXUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-12(2)16(9-8-15(11)18)19-17(20)10-13-4-6-14(21-3)7-5-13/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide?
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 891449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).