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

C12H17FN2O2 — CID 110892882

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(8-16)15-12(17)14-6-5-10-3-2-4-11(13)7-10/h2-4,7,9,16H,5-6,8H2,1H3,(H2,14,15,17)
InChIKeyIRVIVHYEBAXHTH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.05
Rot. Bonds5

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

1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110892882) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110892882
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(8-16)15-12(17)14-6-5-10-3-2-4-11(13)7-10/h2-4,7,9,16H,5-6,8H2,1H3,(H2,14,15,17)
InChIKeyIRVIVHYEBAXHTH-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455422
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878931
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea (CID 110892882) is 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NCCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is IRVIVHYEBAXHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(8-16)15-12(17)14-6-5-10-3-2-4-11(13)7-10/h2-4,7,9,16H,5-6,8H2,1H3,(H2,14,15,17).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 240.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110892882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).