2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide

C15H14BrFN2O2 — CID 103866111

IUPAC2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c16-14-5-4-11(17)6-10(14)8-19-12-2-1-3-13(7-12)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyTZOQPLSQDYPCSZ-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.06
Rot. Bonds6

About 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide

2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide (PubChem CID 103866111) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
PubChem CID103866111
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c16-14-5-4-11(17)6-10(14)8-19-12-2-1-3-13(7-12)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyTZOQPLSQDYPCSZ-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
CID 61317866
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
CID 102832988
2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
CID 115876092
methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
CID 103866126
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
3-[(2-bromo-5-fluorophenyl)methylamino]benzenesulfonamide
CID 103579679
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide (CID 103866111) is 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide is NC(=O)COc1cccc(NCc2cc(F)ccc2Br)c1.
What is the InChIKey of 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide?
The InChIKey is TZOQPLSQDYPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-14-5-4-11(17)6-10(14)8-19-12-2-1-3-13(7-12)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide?
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 103866111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).