1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea

C15H20F2N2O2 — CID 71969083

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NC(C)(CO)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(10-3-6-12(16)13(17)7-10)18-14(21)19-15(2,8-20)11-4-5-11/h3,6-7,9,11,20H,4-5,8H2,1-2H3,(H2,18,19,21)
InChIKeyUUPXBLAJMUMFGI-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea (PubChem CID 71969083) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
PubChem CID71969083
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NC(C)(CO)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(10-3-6-12(16)13(17)7-10)18-14(21)19-15(2,8-20)11-4-5-11/h3,6-7,9,11,20H,4-5,8H2,1-2H3,(H2,18,19,21)
InChIKeyUUPXBLAJMUMFGI-UHFFFAOYSA-N
XLogP2.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea (CID 71969083) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea is CC(NC(=O)NC(C)(CO)C1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The InChIKey is UUPXBLAJMUMFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(10-3-6-12(16)13(17)7-10)18-14(21)19-15(2,8-20)11-4-5-11/h3,6-7,9,11,20H,4-5,8H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea has a molecular weight of 298.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea is sourced from PubChem (CID 71969083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).