1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

C15H13F3N2O2 — CID 110890491

IUPAC1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H13F3N2O2/c16-10-6-4-9(5-7-10)13(21)8-19-15(22)20-14-11(17)2-1-3-12(14)18/h1-7,13,21H,8H2,(H2,19,20,22)
InChIKeyOYGSMBJRKYDTLS-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 110890491) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID110890491
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H13F3N2O2/c16-10-6-4-9(5-7-10)13(21)8-19-15(22)20-14-11(17)2-1-3-12(14)18/h1-7,13,21H,8H2,(H2,19,20,22)
InChIKeyOYGSMBJRKYDTLS-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 71781655
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
1-[3-(ethylsulfanylmethyl)phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111475152
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 110890491) is 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccc(F)cc1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is OYGSMBJRKYDTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-10-6-4-9(5-7-10)13(21)8-19-15(22)20-14-11(17)2-1-3-12(14)18/h1-7,13,21H,8H2,(H2,19,20,22).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 310.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110890491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).