2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide

C15H14F2N2O2 — CID 103851337

IUPAC2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H14F2N2O2/c16-11-5-10(6-12(17)7-11)8-19-13-1-3-14(4-2-13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyZGUUQCWCVARQCO-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide

2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide (PubChem CID 103851337) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
PubChem CID103851337
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H14F2N2O2/c16-11-5-10(6-12(17)7-11)8-19-13-1-3-14(4-2-13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyZGUUQCWCVARQCO-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide
CID 103818405
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
CID 115761971
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66398106
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide (CID 103851337) is 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide is NC(=O)COc1ccc(NCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide?
The InChIKey is ZGUUQCWCVARQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-11-5-10(6-12(17)7-11)8-19-13-1-3-14(4-2-13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide?
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide has a molecular weight of 292.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 103851337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).