N-(3-cyanophenyl)acetamide

C9H8N2O — CID 737204

IUPACN-(3-cyanophenyl)acetamide
SMILESCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C9H8N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,1H3,(H,11,12)
InChIKeyKXBIARKNAZXRGC-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.52
Rot. Bonds1

About N-(3-cyanophenyl)acetamide

N-(3-cyanophenyl)acetamide (PubChem CID 737204) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)acetamide
PubChem CID737204
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC NameN-(3-cyanophenyl)acetamide
SMILESCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C9H8N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,1H3,(H,11,12)
InChIKeyKXBIARKNAZXRGC-UHFFFAOYSA-N
XLogP1.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)acetamide?
The IUPAC name of N-(3-cyanophenyl)acetamide (CID 737204) is N-(3-cyanophenyl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)acetamide is CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)acetamide?
The InChIKey is KXBIARKNAZXRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,1H3,(H,11,12).
What are the key properties of N-(3-cyanophenyl)acetamide?
N-(3-cyanophenyl)acetamide has a molecular weight of 160.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 737204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).