2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C17H18BrNO2 — CID 112777998

IUPAC2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)COc1ccccc1Br
InChIInChI=1S/C17H18BrNO2/c1-13-7-3-4-8-14(13)11-19(2)17(20)12-21-16-10-6-5-9-15(16)18/h3-10H,11-12H2,1-2H3
InChIKeyVQSLMLQWHWFYIO-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.79
Rot. Bonds5

About 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 112777998) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID112777998
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)COc1ccccc1Br
InChIInChI=1S/C17H18BrNO2/c1-13-7-3-4-8-14(13)11-19(2)17(20)12-21-16-10-6-5-9-15(16)18/h3-10H,11-12H2,1-2H3
InChIKeyVQSLMLQWHWFYIO-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 84594812
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 28576849
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317876
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
2-(2-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112777999
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828466
2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78766207

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 112777998) is 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is VQSLMLQWHWFYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-13-7-3-4-8-14(13)11-19(2)17(20)12-21-16-10-6-5-9-15(16)18/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 348.24 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112777998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).