1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea

C16H23FN2O2 — CID 75495361

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
SMILESCC(CO)(NC(=O)NCCCc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-16(11-20,13-7-8-13)19-15(21)18-9-3-5-12-4-2-6-14(17)10-12/h2,4,6,10,13,20H,3,5,7-9,11H2,1H3,(H2,18,19,21)
InChIKeyWRMSPXMLXSXSKB-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.22
Rot. Bonds7

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea (PubChem CID 75495361) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
PubChem CID75495361
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
SMILESCC(CO)(NC(=O)NCCCc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-16(11-20,13-7-8-13)19-15(21)18-9-3-5-12-4-2-6-14(17)10-12/h2,4,6,10,13,20H,3,5,7-9,11H2,1H3,(H2,18,19,21)
InChIKeyWRMSPXMLXSXSKB-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455422
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124851079
(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97241968
(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969846
N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide
CID 119034459
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 91785576
1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108912333

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea (CID 75495361) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea is CC(CO)(NC(=O)NCCCc1cccc(F)c1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea?
The InChIKey is WRMSPXMLXSXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(11-20,13-7-8-13)19-15(21)18-9-3-5-12-4-2-6-14(17)10-12/h2,4,6,10,13,20H,3,5,7-9,11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.22, 7 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-[3-(3-fluorophenyl)propyl]urea is sourced from PubChem (CID 75495361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).