[(4-nitrobenzoyl)amino]urea

C8H8N4O4 — CID 3359712

IUPAC[(4-nitrobenzoyl)amino]urea
SMILESNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O4/c9-8(14)11-10-7(13)5-1-3-6(4-2-5)12(15)16/h1-4H,(H,10,13)(H3,9,11,14)
InChIKeyPKZCWOZBUIFLBT-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.09
Rot. Bonds2

About [(4-nitrobenzoyl)amino]urea

[(4-nitrobenzoyl)amino]urea (PubChem CID 3359712) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is [(4-nitrobenzoyl)amino]urea.

Molecular Properties

Compound Name[(4-nitrobenzoyl)amino]urea
PubChem CID3359712
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name[(4-nitrobenzoyl)amino]urea
SMILESNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O4/c9-8(14)11-10-7(13)5-1-3-6(4-2-5)12(15)16/h1-4H,(H,10,13)(H3,9,11,14)
InChIKeyPKZCWOZBUIFLBT-UHFFFAOYSA-N
XLogP-0.09
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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'}

Analyze [(4-nitrobenzoyl)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4-nitrobenzoyl)amino]urea?
The IUPAC name of [(4-nitrobenzoyl)amino]urea (CID 3359712) is [(4-nitrobenzoyl)amino]urea.
What is the SMILES notation for [(4-nitrobenzoyl)amino]urea?
The canonical SMILES for [(4-nitrobenzoyl)amino]urea is NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(4-nitrobenzoyl)amino]urea?
The InChIKey is PKZCWOZBUIFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c9-8(14)11-10-7(13)5-1-3-6(4-2-5)12(15)16/h1-4H,(H,10,13)(H3,9,11,14).
What are the key properties of [(4-nitrobenzoyl)amino]urea?
[(4-nitrobenzoyl)amino]urea has a molecular weight of 224.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-nitrobenzoyl)amino]urea is sourced from PubChem (CID 3359712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).