1-(3-fluorophenyl)-3-(4-phenylbutyl)urea

C17H19FN2O — CID 24819619

IUPAC1-(3-fluorophenyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c18-15-10-6-11-16(13-15)20-17(21)19-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H2,19,20,21)
InChIKeyRFBYKRYDAFKSBO-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea

1-(3-fluorophenyl)-3-(4-phenylbutyl)urea (PubChem CID 24819619) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(4-phenylbutyl)urea
PubChem CID24819619
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(3-fluorophenyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c18-15-10-6-11-16(13-15)20-17(21)19-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H2,19,20,21)
InChIKeyRFBYKRYDAFKSBO-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea (CID 24819619) is 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea?
The InChIKey is RFBYKRYDAFKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-10-6-11-16(13-15)20-17(21)19-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H2,19,20,21).
What are the key properties of 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea?
1-(3-fluorophenyl)-3-(4-phenylbutyl)urea has a molecular weight of 286.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 24819619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).