1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea

C17H19FN2O2 — CID 47081485

IUPAC1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c18-15-8-4-7-14(11-15)16(21)12-20-17(22)19-10-9-13-5-2-1-3-6-13/h1-8,11,16,21H,9-10,12H2,(H2,19,20,22)
InChIKeyYSFAMIQTXGHTNW-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.40
Rot. Bonds6

About 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea

1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea (PubChem CID 47081485) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
PubChem CID47081485
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c18-15-8-4-7-14(11-15)16(21)12-20-17(22)19-10-9-13-5-2-1-3-6-13/h1-8,11,16,21H,9-10,12H2,(H2,19,20,22)
InChIKeyYSFAMIQTXGHTNW-UHFFFAOYSA-N
XLogP2.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
Urea, (beta-hydroxyphenethyl)-
CID 212827
Butyl [2,2,2-trifluoro-1-[(2-hydroxy-2-phenylethyl)amino]-1-(trifluoromethyl)ethyl]carbamate
CID 2729327
2-({1-[Hydroxy(phenyl)methyl]butyl}amino)-1-phenyl-1-pentanol
CID 1726485
Bis[(R)-beta-hydroxyphenethyl]amine
CID 902475
1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127044774
N'-Cyclohexyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamimidic acid
CID 209000
2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol
CID 11404
1-(4-Fluorophenyl)-2-(methylamino)ethan-1-ol
CID 21943407
Ethyl 2,2,2-trifluoro-1-[(2-hydroxy-2-phenylethyl)amino]-1-(trifluoromethyl)ethylcarbamate
CID 383569
(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 11196418
N-Dodecyl-N'-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea (CID 47081485) is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
The InChIKey is YSFAMIQTXGHTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-8-4-7-14(11-15)16(21)12-20-17(22)19-10-9-13-5-2-1-3-6-13/h1-8,11,16,21H,9-10,12H2,(H2,19,20,22).
What are the key properties of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea has a molecular weight of 302.35 g/mol, XLogP of 2.40, 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)-2-hydroxyethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 47081485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).