[(2-nitrobenzoyl)amino]urea

C8H8N4O4 — CID 61061190

IUPAC[(2-nitrobenzoyl)amino]urea
SMILESNC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O4/c9-8(14)11-10-7(13)5-3-1-2-4-6(5)12(15)16/h1-4H,(H,10,13)(H3,9,11,14)
InChIKeyBHICFUNITOJSAE-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.09
Rot. Bonds2

About [(2-nitrobenzoyl)amino]urea

[(2-nitrobenzoyl)amino]urea (PubChem CID 61061190) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is [(2-nitrobenzoyl)amino]urea.

Molecular Properties

Compound Name[(2-nitrobenzoyl)amino]urea
PubChem CID61061190
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name[(2-nitrobenzoyl)amino]urea
SMILESNC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O4/c9-8(14)11-10-7(13)5-3-1-2-4-6(5)12(15)16/h1-4H,(H,10,13)(H3,9,11,14)
InChIKeyBHICFUNITOJSAE-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'}

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Related Compounds

[(2-nitrobenzoyl)amino]thiourea
CID 65216747
5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
CID 5121277
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
2-nitro-N-[[(2-nitrobenzoyl)carbamothioylamino]carbamothioyl]benzamide
CID 11981700
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
N'-(3-iodobenzoyl)-2-nitrobenzohydrazide
CID 3544369
5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 4949721
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
CID 3127347

Frequently Asked Questions

What is the IUPAC name of [(2-nitrobenzoyl)amino]urea?
The IUPAC name of [(2-nitrobenzoyl)amino]urea (CID 61061190) is [(2-nitrobenzoyl)amino]urea.
What is the SMILES notation for [(2-nitrobenzoyl)amino]urea?
The canonical SMILES for [(2-nitrobenzoyl)amino]urea is NC(=O)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of [(2-nitrobenzoyl)amino]urea?
The InChIKey is BHICFUNITOJSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c9-8(14)11-10-7(13)5-3-1-2-4-6(5)12(15)16/h1-4H,(H,10,13)(H3,9,11,14).
What are the key properties of [(2-nitrobenzoyl)amino]urea?
[(2-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 [(2-nitrobenzoyl)amino]urea is sourced from PubChem (CID 61061190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).