4-acetamidobenzamide

C9H10N2O2 — CID 577727

IUPAC4-acetamidobenzamide
SMILESCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H10N2O2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyXVVYSVVBPMJRAB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.74
Rot. Bonds2

About 4-acetamidobenzamide

4-acetamidobenzamide (PubChem CID 577727) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-acetamidobenzamide.

Molecular Properties

Compound Name4-acetamidobenzamide
PubChem CID577727
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-acetamidobenzamide
SMILESCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H10N2O2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyXVVYSVVBPMJRAB-UHFFFAOYSA-N
XLogP0.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetamidobenzamide?
The IUPAC name of 4-acetamidobenzamide (CID 577727) is 4-acetamidobenzamide.
What is the SMILES notation for 4-acetamidobenzamide?
The canonical SMILES for 4-acetamidobenzamide is CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-acetamidobenzamide?
The InChIKey is XVVYSVVBPMJRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12).
What are the key properties of 4-acetamidobenzamide?
4-acetamidobenzamide has a molecular weight of 178.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidobenzamide is sourced from PubChem (CID 577727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).