1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea

C13H17FN2O2 — CID 111976036

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
SMILESCC(CO)(NC(=O)Nc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H17FN2O2/c1-13(8-17,9-2-3-9)16-12(18)15-11-6-4-10(14)5-7-11/h4-7,9,17H,2-3,8H2,1H3,(H2,15,16,18)
InChIKeyLZAKTAVTENSVAO-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.11
Rot. Bonds4

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea (PubChem CID 111976036) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
PubChem CID111976036
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
SMILESCC(CO)(NC(=O)Nc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H17FN2O2/c1-13(8-17,9-2-3-9)16-12(18)15-11-6-4-10(14)5-7-11/h4-7,9,17H,2-3,8H2,1H3,(H2,15,16,18)
InChIKeyLZAKTAVTENSVAO-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 111976217
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449
N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide
CID 111975992
1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976434
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 111976204
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea
CID 71858486
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea
CID 111976343
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976246
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
CID 75495361

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea (CID 111976036) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea is CC(CO)(NC(=O)Nc1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea?
The InChIKey is LZAKTAVTENSVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(8-17,9-2-3-9)16-12(18)15-11-6-4-10(14)5-7-11/h4-7,9,17H,2-3,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea has a molecular weight of 252.29 g/mol, XLogP of 2.11, 4 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-(4-fluorophenyl)urea is sourced from PubChem (CID 111976036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).