(2,4-dinitrophenyl)urea

C7H6N4O5 — CID 3776708

IUPAC(2,4-dinitrophenyl)urea
SMILESNC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O5/c8-7(12)9-5-2-1-4(10(13)14)3-6(5)11(15)16/h1-3H,(H3,8,9,12)
InChIKeyCNZPEKXWNMCGGI-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.99
Rot. Bonds3

About (2,4-dinitrophenyl)urea

(2,4-dinitrophenyl)urea (PubChem CID 3776708) has the molecular formula C7H6N4O5 and a molecular weight of 226.15 g/mol. Its IUPAC name is (2,4-dinitrophenyl)urea.

Molecular Properties

Compound Name(2,4-dinitrophenyl)urea
PubChem CID3776708
Molecular FormulaC7H6N4O5
Molecular Weight226.15 g/mol
Exact Mass226.03
IUPAC Name(2,4-dinitrophenyl)urea
SMILESNC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O5/c8-7(12)9-5-2-1-4(10(13)14)3-6(5)11(15)16/h1-3H,(H3,8,9,12)
InChIKeyCNZPEKXWNMCGGI-UHFFFAOYSA-N
XLogP0.99
TPSA141.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4,4'-Dinitrocarbanilide
CID 9509
Benzenamine, 2,4-dinitro-N-phenyl-
CID 13748
1,4-Benzenediamine, N1-(2,4-dinitrophenyl)-
CID 4267574
Acetamide, N-(2,4-dinitrophenyl)-
CID 69124
2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-
CID 3725611
1-(3-Nitrophenyl)-3-phenylurea
CID 302800
1,3-Bis(3-nitrophenyl)urea
CID 237811
(2,4-Dinitrophenyl)ethylenediamine
CID 168833
(4-Nitrophenyl)urea
CID 313520
Acetamide, N,N'-(2-nitro-1,4-phenylene)bis-
CID 5154387
1-Hydroxy-3-(4-nitrophenyl)urea
CID 5222748
N-[4-(dimethylamino)-2-nitrophenyl]acetamide
CID 4396139

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)urea?
The IUPAC name of (2,4-dinitrophenyl)urea (CID 3776708) is (2,4-dinitrophenyl)urea.
What is the SMILES notation for (2,4-dinitrophenyl)urea?
The canonical SMILES for (2,4-dinitrophenyl)urea is NC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (2,4-dinitrophenyl)urea?
The InChIKey is CNZPEKXWNMCGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O5/c8-7(12)9-5-2-1-4(10(13)14)3-6(5)11(15)16/h1-3H,(H3,8,9,12).
What are the key properties of (2,4-dinitrophenyl)urea?
(2,4-dinitrophenyl)urea has a molecular weight of 226.15 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)urea is sourced from PubChem (CID 3776708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).