1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea

C15H15FN2O2 — CID 2812618

IUPAC1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
SMILESO=C(NCC(O)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-6-8-13(9-7-12)18-15(20)17-10-14(19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKeyYOMXYVSZCOXITJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea

1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea (PubChem CID 2812618) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
PubChem CID2812618
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
SMILESO=C(NCC(O)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-6-8-13(9-7-12)18-15(20)17-10-14(19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKeyYOMXYVSZCOXITJ-UHFFFAOYSA-N
XLogP2.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea (CID 2812618) is 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea is O=C(NCC(O)c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea?
The InChIKey is YOMXYVSZCOXITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-6-8-13(9-7-12)18-15(20)17-10-14(19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20).
What are the key properties of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea?
1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea has a molecular weight of 274.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea is sourced from PubChem (CID 2812618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).