2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide

C16H17BrN2O2 — CID 81289571

IUPAC2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)COc1ccccc1N
InChIInChI=1S/C16H17BrN2O2/c1-2-11-9-12(17)7-8-14(11)19-16(20)10-21-15-6-4-3-5-13(15)18/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyIQAPPLIHFQKESB-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.61
Rot. Bonds5

About 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide

2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide (PubChem CID 81289571) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
PubChem CID81289571
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)COc1ccccc1N
InChIInChI=1S/C16H17BrN2O2/c1-2-11-9-12(17)7-8-14(11)19-16(20)10-21-15-6-4-3-5-13(15)18/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyIQAPPLIHFQKESB-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236
2-(2-aminophenoxy)-N-(3-bromo-5-methylphenyl)acetamide
CID 107581639
2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 65467316
[2-(2-ethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149336
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
2-(2-aminophenoxy)-N-(2-ethylsulfanylphenyl)acetamide
CID 61104498
2-(2-aminophenoxy)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477091
N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
CID 1421738
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide (CID 81289571) is 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide is CCc1cc(Br)ccc1NC(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide?
The InChIKey is IQAPPLIHFQKESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-11-9-12(17)7-8-14(11)19-16(20)10-21-15-6-4-3-5-13(15)18/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide?
2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide is sourced from PubChem (CID 81289571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).