2-cyano-N-(4-ethylphenyl)acetamide

C11H12N2O — CID 2377098

IUPAC2-cyano-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C11H12N2O/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyOFPCNHCWVLPAEL-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.10
Rot. Bonds3

About 2-cyano-N-(4-ethylphenyl)acetamide

2-cyano-N-(4-ethylphenyl)acetamide (PubChem CID 2377098) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyano-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethylphenyl)acetamide
PubChem CID2377098
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyano-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C11H12N2O/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyOFPCNHCWVLPAEL-UHFFFAOYSA-N
XLogP2.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-ethylphenyl)acetamide (CID 2377098) is 2-cyano-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-(4-ethylphenyl)acetamide?
The InChIKey is OFPCNHCWVLPAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-(4-ethylphenyl)acetamide?
2-cyano-N-(4-ethylphenyl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 2377098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).