2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide

C15H14BrFN2O2 — CID 61140407

IUPAC2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
SMILESNc1ccccc1OCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c16-12-6-5-11(17)7-10(12)8-19-15(20)9-21-14-4-2-1-3-13(14)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyNNCCOZNVVRBYPZ-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide

2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide (PubChem CID 61140407) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
PubChem CID61140407
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
SMILESNc1ccccc1OCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c16-12-6-5-11(17)7-10(12)8-19-15(20)9-21-14-4-2-1-3-13(14)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyNNCCOZNVVRBYPZ-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.87
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

3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 65467316
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-(2-aminophenoxy)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82858985

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide (CID 61140407) is 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide is Nc1ccccc1OCC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The InChIKey is NNCCOZNVVRBYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-12-6-5-11(17)7-10(12)8-19-15(20)9-21-14-4-2-1-3-13(14)18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide has a molecular weight of 353.19 g/mol, XLogP of 2.87, 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-[(2-bromo-5-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 61140407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).