2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide

C16H20F2N2O — CID 62228143

IUPAC2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O/c1-3-7-16(11-19,8-4-2)15(21)20-10-12-5-6-13(17)9-14(12)18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeySKNMCUHLVGAKOK-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.69
Rot. Bonds7

About 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide

2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide (PubChem CID 62228143) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide
PubChem CID62228143
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O/c1-3-7-16(11-19,8-4-2)15(21)20-10-12-5-6-13(17)9-14(12)18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeySKNMCUHLVGAKOK-UHFFFAOYSA-N
XLogP3.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide (CID 62228143) is 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide?
The InChIKey is SKNMCUHLVGAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-3-7-16(11-19,8-4-2)15(21)20-10-12-5-6-13(17)9-14(12)18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide?
2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide has a molecular weight of 294.34 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide is sourced from PubChem (CID 62228143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).