1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea

C15H13F3N2O2 — CID 94811823

IUPAC1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC[C@H](O)c1ccccc1F)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H13F3N2O2/c16-9-5-10(17)7-11(6-9)20-15(22)19-8-14(21)12-3-1-2-4-13(12)18/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1
InChIKeyZUOSRIFHDGRULV-AWEZNQCLSA-N
MW310.28 g/mol
LogP2.96
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea

1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 94811823) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID94811823
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC[C@H](O)c1ccccc1F)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H13F3N2O2/c16-9-5-10(17)7-11(6-9)20-15(22)19-8-14(21)12-3-1-2-4-13(12)18/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1
InChIKeyZUOSRIFHDGRULV-AWEZNQCLSA-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-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 52580627
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
1-(3-ethynylphenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75877588
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
1-(4-chloro-2-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75876611
1-[3-(ethoxymethyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110923034
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 94811823) is 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea is O=C(NC[C@H](O)c1ccccc1F)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is ZUOSRIFHDGRULV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-9-5-10(17)7-11(6-9)20-15(22)19-8-14(21)12-3-1-2-4-13(12)18/h1-7,14,21H,8H2,(H2,19,20,22)/t14-/m0/s1.
What are the key properties of 1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-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-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 94811823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).