2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide

C18H20BrNO2 — CID 113101041

IUPAC2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)Cc2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H20BrNO2/c1-13-3-8-17(11-14(13)2)22-10-9-20-18(21)12-15-4-6-16(19)7-5-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyULEHOXBXIIJHKL-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.80
Rot. Bonds6

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

2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide (PubChem CID 113101041) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
PubChem CID113101041
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)Cc2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H20BrNO2/c1-13-3-8-17(11-14(13)2)22-10-9-20-18(21)12-15-4-6-16(19)7-5-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyULEHOXBXIIJHKL-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.80
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-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
1-[(4-bromophenyl)methyl]-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108879296
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide (CID 113101041) is 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)Cc2ccc(Br)cc2)cc1C.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide?
The InChIKey is ULEHOXBXIIJHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13-3-8-17(11-14(13)2)22-10-9-20-18(21)12-15-4-6-16(19)7-5-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide has a molecular weight of 362.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).