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

C17H19FN2O2 — CID 110895025

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(NCCc1ccccc1F)NC(CO)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-15-9-5-4-6-13(15)10-11-19-17(22)20-16(12-21)14-7-2-1-3-8-14/h1-9,16,21H,10-12H2,(H2,19,20,22)
InChIKeyYEBJLYRQBFKAPN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.40
Rot. Bonds6

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

1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110895025) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110895025
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(NCCc1ccccc1F)NC(CO)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-15-9-5-4-6-13(15)10-11-19-17(22)20-16(12-21)14-7-2-1-3-8-14/h1-9,16,21H,10-12H2,(H2,19,20,22)
InChIKeyYEBJLYRQBFKAPN-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

1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110895025) is 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is O=C(NCCc1ccccc1F)NC(CO)c1ccccc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is YEBJLYRQBFKAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-9-5-4-6-13(15)10-11-19-17(22)20-16(12-21)14-7-2-1-3-8-14/h1-9,16,21H,10-12H2,(H2,19,20,22).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-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-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110895025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).