1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea

C12H15FN2O2 — CID 47176500

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2/c1-2-7-14-12(17)15-8-11(16)9-5-3-4-6-10(9)13/h2-6,11,16H,1,7-8H2,(H2,14,15,17)
InChIKeyXXBKKVIKTAUZME-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea (PubChem CID 47176500) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
PubChem CID47176500
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2/c1-2-7-14-12(17)15-8-11(16)9-5-3-4-6-10(9)13/h2-6,11,16H,1,7-8H2,(H2,14,15,17)
InChIKeyXXBKKVIKTAUZME-UHFFFAOYSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 111566124
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
CID 52991200
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111969990
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
3-(2-fluorophenyl)-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 112516249
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea (CID 47176500) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea is C=CCNC(=O)NCC(O)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea?
The InChIKey is XXBKKVIKTAUZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-7-14-12(17)15-8-11(16)9-5-3-4-6-10(9)13/h2-6,11,16H,1,7-8H2,(H2,14,15,17).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea has a molecular weight of 238.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea is sourced from PubChem (CID 47176500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).