2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide

C11H12FN3O2 — CID 106236966

IUPAC2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
SMILESN#Cc1cc(F)ccc1NCCOCC(N)=O
InChIInChI=1S/C11H12FN3O2/c12-9-1-2-10(8(5-9)6-13)15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,7H2,(H2,14,16)
InChIKeySQAKSNLTECDUML-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.61
Rot. Bonds6

About 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide

2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide (PubChem CID 106236966) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
PubChem CID106236966
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
SMILESN#Cc1cc(F)ccc1NCCOCC(N)=O
InChIInChI=1S/C11H12FN3O2/c12-9-1-2-10(8(5-9)6-13)15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,7H2,(H2,14,16)
InChIKeySQAKSNLTECDUML-UHFFFAOYSA-N
XLogP0.61
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.61
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-cyano-4-fluoroanilino)butanamide
CID 55248881
5-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzonitrile
CID 63827205
methyl 4-(2-cyano-4-fluoroanilino)butanoate
CID 82015683
5-fluoro-2-(2-phenoxyethylamino)benzonitrile
CID 63674810
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443
2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile
CID 63828077
6-(2-cyano-4-fluoroanilino)hexanoic acid
CID 63663440
5-fluoro-2-(4-hydroxypentylamino)benzonitrile
CID 107269158
4-(2-cyano-4-fluoroanilino)-N-methylbutanamide
CID 82015205
5-fluoro-2-(2-methylsulfinylethylamino)benzonitrile
CID 115657623
2-(4-chloro-2-cyanoanilino)ethyl carbamate
CID 83209624

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide (CID 106236966) is 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide is N#Cc1cc(F)ccc1NCCOCC(N)=O.
What is the InChIKey of 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide?
The InChIKey is SQAKSNLTECDUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-9-1-2-10(8(5-9)6-13)15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,7H2,(H2,14,16).
What are the key properties of 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide?
2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide has a molecular weight of 237.23 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide is sourced from PubChem (CID 106236966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).