1-(2-fluorophenyl)-3-(2-nitrophenyl)urea

C13H10FN3O3 — CID 2956796

IUPAC1-(2-fluorophenyl)-3-(2-nitrophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17(19)20/h1-8H,(H2,15,16,18)
InChIKeyAMVFBTOVLDQQAV-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea

1-(2-fluorophenyl)-3-(2-nitrophenyl)urea (PubChem CID 2956796) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-nitrophenyl)urea
PubChem CID2956796
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name1-(2-fluorophenyl)-3-(2-nitrophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17(19)20/h1-8H,(H2,15,16,18)
InChIKeyAMVFBTOVLDQQAV-UHFFFAOYSA-N
XLogP3.38
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea (CID 2956796) is 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea is O=C(Nc1ccccc1F)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea?
The InChIKey is AMVFBTOVLDQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17(19)20/h1-8H,(H2,15,16,18).
What are the key properties of 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea?
1-(2-fluorophenyl)-3-(2-nitrophenyl)urea has a molecular weight of 275.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-nitrophenyl)urea is sourced from PubChem (CID 2956796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).