1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea

C15H14FN3O3 — CID 2944578

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)9-10-17-15(20)18-13-5-7-14(8-6-13)19(21)22/h1-8H,9-10H2,(H2,17,18,20)
InChIKeyJEVQMZGWORVDKW-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea

1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea (PubChem CID 2944578) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea
PubChem CID2944578
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)9-10-17-15(20)18-13-5-7-14(8-6-13)19(21)22/h1-8H,9-10H2,(H2,17,18,20)
InChIKeyJEVQMZGWORVDKW-UHFFFAOYSA-N
XLogP3.10
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.10
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-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea (CID 2944578) is 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea is O=C(NCCc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea?
The InChIKey is JEVQMZGWORVDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)9-10-17-15(20)18-13-5-7-14(8-6-13)19(21)22/h1-8H,9-10H2,(H2,17,18,20).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea?
1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea has a molecular weight of 303.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 2944578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).