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

C14H18F2N2O2 — CID 71981441

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea
SMILESO=C(NCCc1cc(F)ccc1F)NCC(O)C1CC1
InChIInChI=1S/C14H18F2N2O2/c15-11-3-4-12(16)10(7-11)5-6-17-14(20)18-8-13(19)9-1-2-9/h3-4,7,9,13,19H,1-2,5-6,8H2,(H2,17,18,20)
InChIKeyHZLIIJMYKPYONR-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.58
Rot. Bonds6

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

1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea (PubChem CID 71981441) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea
PubChem CID71981441
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea
SMILESO=C(NCCc1cc(F)ccc1F)NCC(O)C1CC1
InChIInChI=1S/C14H18F2N2O2/c15-11-3-4-12(16)10(7-11)5-6-17-14(20)18-8-13(19)9-1-2-9/h3-4,7,9,13,19H,1-2,5-6,8H2,(H2,17,18,20)
InChIKeyHZLIIJMYKPYONR-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea (CID 71981441) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea is O=C(NCCc1cc(F)ccc1F)NCC(O)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea?
The InChIKey is HZLIIJMYKPYONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-3-4-12(16)10(7-11)5-6-17-14(20)18-8-13(19)9-1-2-9/h3-4,7,9,13,19H,1-2,5-6,8H2,(H2,17,18,20).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea has a molecular weight of 284.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea is sourced from PubChem (CID 71981441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).