2-[4-(cyanomethyl)phenyl]acetamide

C10H10N2O — CID 14326580

IUPAC2-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(CC(N)=O)cc1
InChIInChI=1S/C10H10N2O/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h1-4H,5,7H2,(H2,12,13)
InChIKeyQNLWFGMDHQLLHX-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.78
Rot. Bonds3

About 2-[4-(cyanomethyl)phenyl]acetamide

2-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 14326580) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenyl]acetamide
PubChem CID14326580
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(CC(N)=O)cc1
InChIInChI=1S/C10H10N2O/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h1-4H,5,7H2,(H2,12,13)
InChIKeyQNLWFGMDHQLLHX-UHFFFAOYSA-N
XLogP0.78
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenyl]acetamide (CID 14326580) is 2-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is QNLWFGMDHQLLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h1-4H,5,7H2,(H2,12,13).
What are the key properties of 2-[4-(cyanomethyl)phenyl]acetamide?
2-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 174.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 14326580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).