1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea

C18H21FN2O2 — CID 111334518

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)NCCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-18(23,15-7-3-2-4-8-15)13-21-17(22)20-11-10-14-6-5-9-16(19)12-14/h2-9,12,23H,10-11,13H2,1H3,(H2,20,21,22)
InChIKeyGLQNLPSFRQGSGF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.58
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea

1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111334518) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111334518
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)NCCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-18(23,15-7-3-2-4-8-15)13-21-17(22)20-11-10-14-6-5-9-16(19)12-14/h2-9,12,23H,10-11,13H2,1H3,(H2,20,21,22)
InChIKeyGLQNLPSFRQGSGF-UHFFFAOYSA-N
XLogP2.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457977
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254
1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62603873
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea (CID 111334518) is 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea is CC(O)(CNC(=O)NCCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is GLQNLPSFRQGSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(23,15-7-3-2-4-8-15)13-21-17(22)20-11-10-14-6-5-9-16(19)12-14/h2-9,12,23H,10-11,13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 316.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111334518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).