2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide

C12H13F2N3O2 — CID 106235036

IUPAC2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide
SMILESN#Cc1cc(F)c(CNCCOCC(N)=O)c(F)c1
InChIInChI=1S/C12H13F2N3O2/c13-10-3-8(5-15)4-11(14)9(10)6-17-1-2-19-7-12(16)18/h3-4,17H,1-2,6-7H2,(H2,16,18)
InChIKeyXFEDGXKBUHKGEV-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.43
Rot. Bonds7

About 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide

2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide (PubChem CID 106235036) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide
PubChem CID106235036
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide
SMILESN#Cc1cc(F)c(CNCCOCC(N)=O)c(F)c1
InChIInChI=1S/C12H13F2N3O2/c13-10-3-8(5-15)4-11(14)9(10)6-17-1-2-19-7-12(16)18/h3-4,17H,1-2,6-7H2,(H2,16,18)
InChIKeyXFEDGXKBUHKGEV-UHFFFAOYSA-N
XLogP0.43
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-ethoxyethylamino)methyl]-3,5-difluorobenzonitrile
CID 107037851
4-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-3,5-difluorobenzonitrile
CID 107166910
3,5-difluoro-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]benzonitrile
CID 107038407
3,5-difluoro-4-[(2-methoxyethylamino)methyl]benzonitrile
CID 107037434
4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]-3,5-difluorobenzonitrile
CID 107166852
2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
CID 106235049
2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide
CID 114162215
3-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethyl]-1,1-dimethylurea
CID 107038837
2-[2-[(5-cyanofuran-2-yl)methylamino]ethoxy]acetamide
CID 106235935
tert-butyl N-[3-[(4-cyano-2,6-difluorophenyl)methylamino]propyl]carbamate
CID 107166170
3-[(4-cyano-2,6-difluorophenyl)methylamino]butanamide
CID 107038987
2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide (CID 106235036) is 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide is N#Cc1cc(F)c(CNCCOCC(N)=O)c(F)c1.
What is the InChIKey of 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide?
The InChIKey is XFEDGXKBUHKGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c13-10-3-8(5-15)4-11(14)9(10)6-17-1-2-19-7-12(16)18/h3-4,17H,1-2,6-7H2,(H2,16,18).
What are the key properties of 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide?
2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide has a molecular weight of 269.25 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).