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

C10H10N2O — CID 693152

IUPAC2-cyano-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyQJUSLYUHZWAKLF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.85
Rot. Bonds2

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

2-cyano-N-(4-methylphenyl)acetamide (PubChem CID 693152) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-cyano-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-methylphenyl)acetamide
PubChem CID693152
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-cyano-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyQJUSLYUHZWAKLF-UHFFFAOYSA-N
XLogP1.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.85
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-methylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-methylphenyl)acetamide (CID 693152) is 2-cyano-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-(4-methylphenyl)acetamide?
The InChIKey is QJUSLYUHZWAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(4-methylphenyl)acetamide?
2-cyano-N-(4-methylphenyl)acetamide has a molecular weight of 174.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).