2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide

C17H18BrNO2 — CID 60537657

IUPAC2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)COc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-9-16(13(2)10-12)19(3)17(20)11-21-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3
InChIKeyKJZAENNDHUDHOS-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide

2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide (PubChem CID 60537657) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide
PubChem CID60537657
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)COc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-9-16(13(2)10-12)19(3)17(20)11-21-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3
InChIKeyKJZAENNDHUDHOS-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-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19212751
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide
CID 55887630
2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5120980
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
(4-chloro-3,5-dimethylphenyl) 2-(4-bromophenoxy)acetate
CID 5119048

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide (CID 60537657) is 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(N(C)C(=O)COc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is KJZAENNDHUDHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-4-9-16(13(2)10-12)19(3)17(20)11-21-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3.
What are the key properties of 2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide?
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide 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-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 60537657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).