1-(2-nitrophenyl)-3-phenylurea

C13H11N3O3 — CID 4109613

IUPAC1-(2-nitrophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c17-13(14-10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16(18)19/h1-9H,(H2,14,15,17)
InChIKeyVIWQQEVKNIRFKU-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.24
Rot. Bonds3

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

1-(2-nitrophenyl)-3-phenylurea (PubChem CID 4109613) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-phenylurea
PubChem CID4109613
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name1-(2-nitrophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c17-13(14-10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16(18)19/h1-9H,(H2,14,15,17)
InChIKeyVIWQQEVKNIRFKU-UHFFFAOYSA-N
XLogP3.24
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.24
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

(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide
CID 51957864
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
2-methyl-6-[(2-nitrophenyl)carbamoylamino]benzoic acid
CID 23444552
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-(2-methyl-6-nitrophenyl)-3-phenylurea
CID 3703717
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
1-(4,5-dimethoxy-2-nitrophenyl)-3-phenylurea
CID 110446745
N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide
CID 71521457
1-(2-nitrophenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869608
1-(2-nitrophenyl)-3-propylurea
CID 31682023
1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-phenylurea?
The IUPAC name of 1-(2-nitrophenyl)-3-phenylurea (CID 4109613) is 1-(2-nitrophenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-nitrophenyl)-3-phenylurea?
The canonical SMILES for 1-(2-nitrophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-3-phenylurea?
The InChIKey is VIWQQEVKNIRFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(14-10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16(18)19/h1-9H,(H2,14,15,17).
What are the key properties of 1-(2-nitrophenyl)-3-phenylurea?
1-(2-nitrophenyl)-3-phenylurea has a molecular weight of 257.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-phenylurea is sourced from PubChem (CID 4109613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).