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

C12H15FN2O2 — CID 111423625

IUPAC3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O2/c1-2-7-15(8-9-16)12(17)14-11-6-4-3-5-10(11)13/h2-6,16H,1,7-9H2,(H,14,17)
InChIKeyVKLMDNUTTZVHRJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.84
Rot. Bonds5

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

3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111423625) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111423625
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O2/c1-2-7-15(8-9-16)12(17)14-11-6-4-3-5-10(11)13/h2-6,16H,1,7-9H2,(H,14,17)
InChIKeyVKLMDNUTTZVHRJ-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865
3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423887
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423861
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
3-(2-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423941
3-(3-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111475913
2-[(2-fluorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813778
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
2-[bis(prop-2-enyl)carbamoylamino]benzoic acid
CID 61193629
2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775828
3-[[2-(2-fluoroanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326624

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111423625) is 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is VKLMDNUTTZVHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-7-15(8-9-16)12(17)14-11-6-4-3-5-10(11)13/h2-6,16H,1,7-9H2,(H,14,17).
What are the key properties of 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 238.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111423625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).