2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide

C15H14BrFN2O2 — CID 115952038

IUPAC2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
SMILESNCc1cccc(F)c1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrFN2O2/c16-11-4-6-12(7-5-11)19-14(20)9-21-15-10(8-18)2-1-3-13(15)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyJPLFWYYUOXBBBH-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.06
Rot. Bonds5

About 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide (PubChem CID 115952038) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
PubChem CID115952038
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
SMILESNCc1cccc(F)c1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrFN2O2/c16-11-4-6-12(7-5-11)19-14(20)9-21-15-10(8-18)2-1-3-13(15)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyJPLFWYYUOXBBBH-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
CID 61389716
2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
CID 60905403
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 115951921
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
CID 83050973
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 115951922
N-(2-aminophenyl)-2-(2,6-difluorophenoxy)acetamide
CID 81268833
N-[4-(4-bromophenoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 7964936
2-(2-amino-4-bromo-5-fluorophenoxy)-N-(4-bromophenyl)acetamide
CID 103482897
2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
CID 61389859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide (CID 115952038) is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide is NCc1cccc(F)c1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide?
The InChIKey is JPLFWYYUOXBBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-11-4-6-12(7-5-11)19-14(20)9-21-15-10(8-18)2-1-3-13(15)17/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide?
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 115952038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).