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

C16H16BrNO2 — CID 876443

IUPACN-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H16BrNO2/c1-11-6-7-15(12(2)8-11)20-10-16(19)18-14-5-3-4-13(17)9-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHKTAJJJVZFXCHA-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.08
Rot. Bonds4

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

N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 876443) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID876443
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H16BrNO2/c1-11-6-7-15(12(2)8-11)20-10-16(19)18-14-5-3-4-13(17)9-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHKTAJJJVZFXCHA-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707260
3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide
CID 3635188
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide (CID 876443) is N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccc(Br)c2)c(C)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is HKTAJJJVZFXCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-6-7-15(12(2)8-11)20-10-16(19)18-14-5-3-4-13(17)9-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 334.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 876443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).