1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea

C15H20F2N2O2 — CID 71867587

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea
SMILESCC(CNC(=O)NCC(O)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(11-4-5-12(16)13(17)6-11)7-18-15(21)19-8-14(20)10-2-3-10/h4-6,9-10,14,20H,2-3,7-8H2,1H3,(H2,18,19,21)
InChIKeyUZRAXIYZJQFQAA-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.14
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea

1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea (PubChem CID 71867587) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea
PubChem CID71867587
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea
SMILESCC(CNC(=O)NCC(O)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(11-4-5-12(16)13(17)6-11)7-18-15(21)19-8-14(20)10-2-3-10/h4-6,9-10,14,20H,2-3,7-8H2,1H3,(H2,18,19,21)
InChIKeyUZRAXIYZJQFQAA-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.14
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-(3,4-difluorophenyl)propyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea (CID 71867587) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea is CC(CNC(=O)NCC(O)C1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea?
The InChIKey is UZRAXIYZJQFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(11-4-5-12(16)13(17)6-11)7-18-15(21)19-8-14(20)10-2-3-10/h4-6,9-10,14,20H,2-3,7-8H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,4-difluorophenyl)propyl]urea has a molecular weight of 298.33 g/mol, XLogP of 2.14, 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-(3,4-difluorophenyl)propyl]urea is sourced from PubChem (CID 71867587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).