2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide

C12H12FN3O — CID 107936391

IUPAC2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide
SMILESN#Cc1cc(C(NC2CC2)C(N)=O)ccc1F
InChIInChI=1S/C12H12FN3O/c13-10-4-1-7(5-8(10)6-14)11(12(15)17)16-9-2-3-9/h1,4-5,9,11,16H,2-3H2,(H2,15,17)
InChIKeyIBHKCDAULYVTOX-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.98
Rot. Bonds4

About 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide

2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide (PubChem CID 107936391) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide
PubChem CID107936391
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide
SMILESN#Cc1cc(C(NC2CC2)C(N)=O)ccc1F
InChIInChI=1S/C12H12FN3O/c13-10-4-1-7(5-8(10)6-14)11(12(15)17)16-9-2-3-9/h1,4-5,9,11,16H,2-3H2,(H2,15,17)
InChIKeyIBHKCDAULYVTOX-UHFFFAOYSA-N
XLogP0.98
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The IUPAC name of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide (CID 107936391) is 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide is N#Cc1cc(C(NC2CC2)C(N)=O)ccc1F.
What is the InChIKey of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The InChIKey is IBHKCDAULYVTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-4-1-7(5-8(10)6-14)11(12(15)17)16-9-2-3-9/h1,4-5,9,11,16H,2-3H2,(H2,15,17).
What are the key properties of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide has a molecular weight of 233.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 107936391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).