(4-bromo-2-nitrophenyl)urea

C7H6BrN3O3 — CID 54074030

IUPAC(4-bromo-2-nitrophenyl)urea
SMILESNC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrN3O3/c8-4-1-2-5(10-7(9)12)6(3-4)11(13)14/h1-3H,(H3,9,10,12)
InChIKeyMILFNYNKXFBQPY-UHFFFAOYSA-N
MW260.05 g/mol
LogP1.85
Rot. Bonds2

About (4-bromo-2-nitrophenyl)urea

(4-bromo-2-nitrophenyl)urea (PubChem CID 54074030) has the molecular formula C7H6BrN3O3 and a molecular weight of 260.05 g/mol. Its IUPAC name is (4-bromo-2-nitrophenyl)urea.

Molecular Properties

Compound Name(4-bromo-2-nitrophenyl)urea
PubChem CID54074030
Molecular FormulaC7H6BrN3O3
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC Name(4-bromo-2-nitrophenyl)urea
SMILESNC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrN3O3/c8-4-1-2-5(10-7(9)12)6(3-4)11(13)14/h1-3H,(H3,9,10,12)
InChIKeyMILFNYNKXFBQPY-UHFFFAOYSA-N
XLogP1.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-N-(4-bromo-2-nitrophenyl)propanamide
CID 43711578
(4-fluoro-2-nitrophenyl)urea
CID 69476086
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
CID 171371571
CID 171371571
2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 43711570
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
CID 177353774
2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
CID 60860936
3-(4-bromo-2-nitroanilino)-2,2-dimethylpropanamide
CID 103620231
2-amino-N-(4-bromo-2-nitrophenyl)-3-methylpentanamide
CID 43711584
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-nitrophenyl)urea?
The IUPAC name of (4-bromo-2-nitrophenyl)urea (CID 54074030) is (4-bromo-2-nitrophenyl)urea.
What is the SMILES notation for (4-bromo-2-nitrophenyl)urea?
The canonical SMILES for (4-bromo-2-nitrophenyl)urea is NC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of (4-bromo-2-nitrophenyl)urea?
The InChIKey is MILFNYNKXFBQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3/c8-4-1-2-5(10-7(9)12)6(3-4)11(13)14/h1-3H,(H3,9,10,12).
What are the key properties of (4-bromo-2-nitrophenyl)urea?
(4-bromo-2-nitrophenyl)urea has a molecular weight of 260.05 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-nitrophenyl)urea is sourced from PubChem (CID 54074030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).