3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide

C15H15BrN2O2 — CID 61091327

IUPAC3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
SMILESNc1ccccc1OCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyMYAUIHYLOMSGJX-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.44
Rot. Bonds5

About 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide

3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide (PubChem CID 61091327) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
PubChem CID61091327
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
SMILESNc1ccccc1OCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyMYAUIHYLOMSGJX-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.44
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-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
3-(2-aminophenoxy)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 61103909
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide
CID 63652209
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide (CID 61091327) is 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide is Nc1ccccc1OCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide?
The InChIKey is MYAUIHYLOMSGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide?
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide has a molecular weight of 335.20 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 61091327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).