N-(4-acetylphenyl)formamide

C9H9NO2 — CID 4570782

IUPACN-(4-acetylphenyl)formamide
SMILESCC(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C9H9NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-6H,1H3,(H,10,11)
InChIKeyGFPJVIAZPWVQRL-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.46
Rot. Bonds3

About N-(4-acetylphenyl)formamide

N-(4-acetylphenyl)formamide (PubChem CID 4570782) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is N-(4-acetylphenyl)formamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)formamide
PubChem CID4570782
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC NameN-(4-acetylphenyl)formamide
SMILESCC(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C9H9NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-6H,1H3,(H,10,11)
InChIKeyGFPJVIAZPWVQRL-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(4-acetylphenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)formamide?
The IUPAC name of N-(4-acetylphenyl)formamide (CID 4570782) is N-(4-acetylphenyl)formamide.
What is the SMILES notation for N-(4-acetylphenyl)formamide?
The canonical SMILES for N-(4-acetylphenyl)formamide is CC(=O)c1ccc(NC=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)formamide?
The InChIKey is GFPJVIAZPWVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-6H,1H3,(H,10,11).
What are the key properties of N-(4-acetylphenyl)formamide?
N-(4-acetylphenyl)formamide has a molecular weight of 163.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)formamide is sourced from PubChem (CID 4570782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).