1-(2-hydroxy-3-nitrophenyl)-3-phenylurea

C13H11N3O4 — CID 11414633

IUPAC1-(2-hydroxy-3-nitrophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H11N3O4/c17-12-10(7-4-8-11(12)16(19)20)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18)
InChIKeyDZLCFOMBBDNYIQ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea

1-(2-hydroxy-3-nitrophenyl)-3-phenylurea (PubChem CID 11414633) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-nitrophenyl)-3-phenylurea
PubChem CID11414633
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name1-(2-hydroxy-3-nitrophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H11N3O4/c17-12-10(7-4-8-11(12)16(19)20)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18)
InChIKeyDZLCFOMBBDNYIQ-UHFFFAOYSA-N
XLogP2.94
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-Dinitroanilino)phenol
CID 3100915
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
CID 3618472
N-(4-Hydroxy-3-nitrophenyl)acetamide
CID 3322389
Acetamide, N-(2-hydroxy-5-nitrophenyl)-
CID 3292867
Carbanilide, 2-hydroxy-5-nitrothio-
CID 3116400
1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea
CID 11818139
1-(4-Fluorophenyl)-3-(2-hydroxy-3-nitro-5-sulfamoylphenyl)urea
CID 145979094
1-(2-Hydroxy-3-nitro-5-sulfamoylphenyl)-3-phenylurea
CID 145990044
N-(2-hydroxy-4-nitrophenyl)-N'-(2-fluorophenyl)urea
CID 21184605
N-(2-hydroxy-5-nitrophenyl)butanamide
CID 3599768
1-(3,4-Difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 46226805
1-(2-Hydroxy-4-nitrophenyl)-3-(3,4,5-trifluorophenyl)urea
CID 46226827

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea?
The IUPAC name of 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea (CID 11414633) is 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea?
The canonical SMILES for 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea?
The InChIKey is DZLCFOMBBDNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-12-10(7-4-8-11(12)16(19)20)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18).
What are the key properties of 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea?
1-(2-hydroxy-3-nitrophenyl)-3-phenylurea has a molecular weight of 273.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-nitrophenyl)-3-phenylurea is sourced from PubChem (CID 11414633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).