2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide

C15H17FN2O — CID 142522392

IUPAC2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1c(F)c(C#N)cc(C2CC2)c1CC(N)=O
InChIInChI=1S/C15H17FN2O/c1-8(2)14-12(6-13(18)19)11(9-3-4-9)5-10(7-17)15(14)16/h5,8-9H,3-4,6H2,1-2H3,(H2,18,19)
InChIKeyCUYKCKPIHUVNJV-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide

2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide (PubChem CID 142522392) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide
PubChem CID142522392
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1c(F)c(C#N)cc(C2CC2)c1CC(N)=O
InChIInChI=1S/C15H17FN2O/c1-8(2)14-12(6-13(18)19)11(9-3-4-9)5-10(7-17)15(14)16/h5,8-9H,3-4,6H2,1-2H3,(H2,18,19)
InChIKeyCUYKCKPIHUVNJV-UHFFFAOYSA-N
XLogP2.73
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide (CID 142522392) is 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide is CC(C)c1c(F)c(C#N)cc(C2CC2)c1CC(N)=O.
What is the InChIKey of 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide?
The InChIKey is CUYKCKPIHUVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-8(2)14-12(6-13(18)19)11(9-3-4-9)5-10(7-17)15(14)16/h5,8-9H,3-4,6H2,1-2H3,(H2,18,19).
What are the key properties of 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide?
2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide has a molecular weight of 260.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 142522392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).