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

C17H17F3N2O2 — CID 100657823

IUPAC3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
SMILESCCN(C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C17H17F3N2O2/c1-2-22(14-9-4-3-6-11(14)18)17(24)21-10-15(23)16-12(19)7-5-8-13(16)20/h3-9,15,23H,2,10H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyRXXFBZBSYLITJI-HNNXBMFYSA-N
MW338.33 g/mol
LogP3.37
Rot. Bonds5

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

3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea (PubChem CID 100657823) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea.

Molecular Properties

Compound Name3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
PubChem CID100657823
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
SMILESCCN(C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C17H17F3N2O2/c1-2-22(14-9-4-3-6-11(14)18)17(24)21-10-15(23)16-12(19)7-5-8-13(16)20/h3-9,15,23H,2,10H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyRXXFBZBSYLITJI-HNNXBMFYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[ethyl-(2-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222142
4-[[ethyl-(2-fluorophenyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541846
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
CID 111451449
5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 82847956
N-ethyl-N-(2-fluorophenyl)-4-hydroxypentanamide
CID 79192047
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
1-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 95775482
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
CID 43164865

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea?
The IUPAC name of 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea (CID 100657823) is 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea.
What is the SMILES notation for 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea?
The canonical SMILES for 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea is CCN(C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccccc1F.
What is the InChIKey of 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea?
The InChIKey is RXXFBZBSYLITJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-22(14-9-4-3-6-11(14)18)17(24)21-10-15(23)16-12(19)7-5-8-13(16)20/h3-9,15,23H,2,10H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea?
3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea has a molecular weight of 338.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea is sourced from PubChem (CID 100657823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).