N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide

C17H18BrNO2 — CID 113099729

IUPACN-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCOc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-13-4-2-3-5-14(13)12-17(20)19-10-11-21-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOYCOIKCBYAZAMB-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide

N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 113099729) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID113099729
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCOc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-13-4-2-3-5-14(13)12-17(20)19-10-11-21-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOYCOIKCBYAZAMB-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide (CID 113099729) is N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is OYCOIKCBYAZAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-13-4-2-3-5-14(13)12-17(20)19-10-11-21-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide?
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113099729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).