2-amino-N-(4-nitrophenyl)acetamide

C8H9N3O3 — CID 3738367

IUPAC2-amino-N-(4-nitrophenyl)acetamide
SMILESNCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyVZZMNSJSZXVCCW-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-N-(4-nitrophenyl)acetamide

2-amino-N-(4-nitrophenyl)acetamide (PubChem CID 3738367) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-nitrophenyl)acetamide
PubChem CID3738367
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-amino-N-(4-nitrophenyl)acetamide
SMILESNCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyVZZMNSJSZXVCCW-UHFFFAOYSA-N
XLogP0.49
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.49
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 2-amino-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-amino-N-(4-nitrophenyl)acetamide (CID 3738367) is 2-amino-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-amino-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-amino-N-(4-nitrophenyl)acetamide is NCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N-(4-nitrophenyl)acetamide?
The InChIKey is VZZMNSJSZXVCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12).
What are the key properties of 2-amino-N-(4-nitrophenyl)acetamide?
2-amino-N-(4-nitrophenyl)acetamide has a molecular weight of 195.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3738367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).