1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea

C12H15FN2O2 — CID 56791596

IUPAC1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC1CC1)NC(CO)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-8(2-4-9)11(7-16)15-12(17)14-10-5-6-10/h1-4,10-11,16H,5-7H2,(H2,14,15,17)
InChIKeyCAMHYRKFEWKJIC-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.32
Rot. Bonds4

About 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea

1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 56791596) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID56791596
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NC1CC1)NC(CO)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-8(2-4-9)11(7-16)15-12(17)14-10-5-6-10/h1-4,10-11,16H,5-7H2,(H2,14,15,17)
InChIKeyCAMHYRKFEWKJIC-UHFFFAOYSA-N
XLogP1.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 56791596) is 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea is O=C(NC1CC1)NC(CO)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is CAMHYRKFEWKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-3-1-8(2-4-9)11(7-16)15-12(17)14-10-5-6-10/h1-4,10-11,16H,5-7H2,(H2,14,15,17).
What are the key properties of 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 238.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 56791596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).