N-(4-acetamido-3-nitrophenyl)acetamide

C10H11N3O4 — CID 5154387

IUPACN-(4-acetamido-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-9(12-7(2)15)10(5-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15)
InChIKeyWIBLBSKESAEFTC-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.51
Rot. Bonds3

About N-(4-acetamido-3-nitrophenyl)acetamide

N-(4-acetamido-3-nitrophenyl)acetamide (PubChem CID 5154387) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(4-acetamido-3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-nitrophenyl)acetamide
PubChem CID5154387
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN-(4-acetamido-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-9(12-7(2)15)10(5-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15)
InChIKeyWIBLBSKESAEFTC-UHFFFAOYSA-N
XLogP1.51
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-acetamido-3-nitrophenyl)acetamide?
The IUPAC name of N-(4-acetamido-3-nitrophenyl)acetamide (CID 5154387) is N-(4-acetamido-3-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-acetamido-3-nitrophenyl)acetamide?
The canonical SMILES for N-(4-acetamido-3-nitrophenyl)acetamide is CC(=O)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-acetamido-3-nitrophenyl)acetamide?
The InChIKey is WIBLBSKESAEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-9(12-7(2)15)10(5-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-(4-acetamido-3-nitrophenyl)acetamide?
N-(4-acetamido-3-nitrophenyl)acetamide has a molecular weight of 237.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-nitrophenyl)acetamide is sourced from PubChem (CID 5154387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).