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

C11H14F2N2O2 — CID 111573173

IUPAC1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2/c12-9-1-2-10(13)8(7-9)3-4-14-11(17)15-5-6-16/h1-2,7,16H,3-6H2,(H2,14,15,17)
InChIKeyGPASBLGWFDDNEU-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.80
Rot. Bonds5

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

1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 111573173) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
PubChem CID111573173
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2/c12-9-1-2-10(13)8(7-9)3-4-14-11(17)15-5-6-16/h1-2,7,16H,3-6H2,(H2,14,15,17)
InChIKeyGPASBLGWFDDNEU-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
2-(2,5-difluorophenyl)ethylurea
CID 115168493
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
1-[2-(2,5-difluorophenyl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111603978
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71981705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea (CID 111573173) is 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCCc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is GPASBLGWFDDNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-9-1-2-10(13)8(7-9)3-4-14-11(17)15-5-6-16/h1-2,7,16H,3-6H2,(H2,14,15,17).
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 244.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111573173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).