2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide

C17H18BrNO2 — CID 3944962

IUPAC2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide
SMILESCc1cc(OCC(=O)N(C)c2ccccc2)c(C)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-12-10-16(13(2)9-15(12)18)21-11-17(20)19(3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyMFYMTKLUHHQOMF-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide

2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide (PubChem CID 3944962) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide
PubChem CID3944962
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide
SMILESCc1cc(OCC(=O)N(C)c2ccccc2)c(C)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-12-10-16(13(2)9-15(12)18)21-11-17(20)19(3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyMFYMTKLUHHQOMF-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
CID 107283407
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
N-methyl-N-phenyl-2-pyrimidin-2-yloxyacetamide
CID 121086783
2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
CID 2233417
2-(2,5-dimethylpyrazol-3-yl)oxy-N-methyl-N-phenylacetamide
CID 86165736
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-(2-aminophenoxy)-N-methyl-N-(3-methylphenyl)acetamide
CID 62003692
N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide
CID 3557019
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide (CID 3944962) is 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide is Cc1cc(OCC(=O)N(C)c2ccccc2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide?
The InChIKey is MFYMTKLUHHQOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-10-16(13(2)9-15(12)18)21-11-17(20)19(3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3.
What are the key properties of 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide?
2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide has a molecular weight of 348.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 3944962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).