2-(4-Nitrophenyl)acetamide

C8H8N2O3 — CID 233613

IUPAC2-(4-nitrophenyl)acetamide
SMILESC1=CC(=CC=C1CC(=O)N)[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c9-8(11)5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2,(H2,9,11)
InChIKeyMQNBMOUEKNYZII-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.70
Rot. Bonds2

About 2-(4-Nitrophenyl)acetamide

2-(4-Nitrophenyl)acetamide (PubChem CID 233613) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-Nitrophenyl)acetamide
PubChem CID233613
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(4-nitrophenyl)acetamide
SMILESC1=CC(=CC=C1CC(=O)N)[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c9-8(11)5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2,(H2,9,11)
InChIKeyMQNBMOUEKNYZII-UHFFFAOYSA-N
XLogP0.70
TPSA88.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity204

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Nitrophenyl)acetamide?
The IUPAC name of 2-(4-Nitrophenyl)acetamide (CID 233613) is 2-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-Nitrophenyl)acetamide?
The canonical SMILES for 2-(4-Nitrophenyl)acetamide is C1=CC(=CC=C1CC(=O)N)[N+](=O)[O-].
What is the InChIKey of 2-(4-Nitrophenyl)acetamide?
The InChIKey is MQNBMOUEKNYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-8(11)5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2,(H2,9,11).
What are the key properties of 2-(4-Nitrophenyl)acetamide?
2-(4-Nitrophenyl)acetamide has a molecular weight of 180.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Nitrophenyl)acetamide is sourced from PubChem (CID 233613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).