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

C17H23FN2O2 — CID 111795159

IUPAC1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCCC1CC1)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H23FN2O2/c18-14-5-3-13(4-6-14)16(21)11-20(15-7-8-15)17(22)19-10-9-12-1-2-12/h3-6,12,15-16,21H,1-2,7-11H2,(H,19,22)
InChIKeyGPFAVINTEGMDGA-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.83
Rot. Bonds7

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

1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 111795159) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID111795159
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCCC1CC1)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H23FN2O2/c18-14-5-3-13(4-6-14)16(21)11-20(15-7-8-15)17(22)19-10-9-12-1-2-12/h3-6,12,15-16,21H,1-2,7-11H2,(H,19,22)
InChIKeyGPFAVINTEGMDGA-UHFFFAOYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 111795159) is 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is O=C(NCCC1CC1)N(CC(O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is GPFAVINTEGMDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-5-3-13(4-6-14)16(21)11-20(15-7-8-15)17(22)19-10-9-12-1-2-12/h3-6,12,15-16,21H,1-2,7-11H2,(H,19,22).
What are the key properties of 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 306.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111795159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).