2-[(4-cyano-2-fluorophenyl)methylamino]acetamide

C10H10FN3O — CID 28586696

IUPAC2-[(4-cyano-2-fluorophenyl)methylamino]acetamide
SMILESN#Cc1ccc(CNCC(N)=O)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-9-3-7(4-12)1-2-8(9)5-14-6-10(13)15/h1-3,14H,5-6H2,(H2,13,15)
InChIKeyAINSJMQSNLZUBU-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.27
Rot. Bonds4

About 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide

2-[(4-cyano-2-fluorophenyl)methylamino]acetamide (PubChem CID 28586696) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-2-fluorophenyl)methylamino]acetamide
PubChem CID28586696
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-[(4-cyano-2-fluorophenyl)methylamino]acetamide
SMILESN#Cc1ccc(CNCC(N)=O)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-9-3-7(4-12)1-2-8(9)5-14-6-10(13)15/h1-3,14H,5-6H2,(H2,13,15)
InChIKeyAINSJMQSNLZUBU-UHFFFAOYSA-N
XLogP0.27
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyano-2-fluorophenyl)methylamino]-N-ethylacetamide
CID 43567000
4-[(2-aminoethylamino)methyl]-3-fluorobenzonitrile
CID 62140338
3-fluoro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzonitrile
CID 115748264
4-[(2,2-dimethylpropylamino)methyl]-3-fluorobenzonitrile
CID 61167615
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 56813394
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 106133058
3-fluoro-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzonitrile
CID 113278201
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081
methyl 2-[(4-cyano-2-fluorophenyl)methylsulfamoyl]propanoate
CID 63359222
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide?
The IUPAC name of 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide (CID 28586696) is 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide.
What is the SMILES notation for 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide?
The canonical SMILES for 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide is N#Cc1ccc(CNCC(N)=O)c(F)c1.
What is the InChIKey of 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide?
The InChIKey is AINSJMQSNLZUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-9-3-7(4-12)1-2-8(9)5-14-6-10(13)15/h1-3,14H,5-6H2,(H2,13,15).
What are the key properties of 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide?
2-[(4-cyano-2-fluorophenyl)methylamino]acetamide has a molecular weight of 207.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-fluorophenyl)methylamino]acetamide is sourced from PubChem (CID 28586696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).