N-(4-nitrophenyl)acetamide

C8H8N2O3 — CID 7691

IUPACN-(4-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKeyNQRLPDFELNCFHW-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.55
Rot. Bonds2

About N-(4-nitrophenyl)acetamide

N-(4-nitrophenyl)acetamide (PubChem CID 7691) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)acetamide
PubChem CID7691
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC NameN-(4-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKeyNQRLPDFELNCFHW-UHFFFAOYSA-N
XLogP1.55
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.55
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 N-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-nitrophenyl)acetamide (CID 7691) is N-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-nitrophenyl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)acetamide?
The InChIKey is NQRLPDFELNCFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11).
What are the key properties of N-(4-nitrophenyl)acetamide?
N-(4-nitrophenyl)acetamide has a molecular weight of 180.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 7691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).