2-(4-cyanophenyl)acetamide

C9H8N2O — CID 15480551

IUPAC2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(N)=O)cc1
InChIInChI=1S/C9H8N2O/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H2,11,12)
InChIKeyNRNFOCWICHLLEQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.59
Rot. Bonds2

About 2-(4-cyanophenyl)acetamide

2-(4-cyanophenyl)acetamide (PubChem CID 15480551) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)acetamide
PubChem CID15480551
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(N)=O)cc1
InChIInChI=1S/C9H8N2O/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H2,11,12)
InChIKeyNRNFOCWICHLLEQ-UHFFFAOYSA-N
XLogP0.59
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)acetamide (CID 15480551) is 2-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)acetamide is N#Cc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-(4-cyanophenyl)acetamide?
The InChIKey is NRNFOCWICHLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H2,11,12).
What are the key properties of 2-(4-cyanophenyl)acetamide?
2-(4-cyanophenyl)acetamide has a molecular weight of 160.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)acetamide is sourced from PubChem (CID 15480551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).