3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C13H16F2N2O3 — CID 111423887

IUPAC3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H16F2N2O3/c1-2-7-17(8-9-18)13(19)16-10-5-3-4-6-11(10)20-12(14)15/h2-6,12,18H,1,7-9H2,(H,16,19)
InChIKeyNEHBVLZIUVDYJI-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.30
Rot. Bonds7

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

3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111423887) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111423887
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H16F2N2O3/c1-2-7-17(8-9-18)13(19)16-10-5-3-4-6-11(10)20-12(14)15/h2-6,12,18H,1,7-9H2,(H,16,19)
InChIKeyNEHBVLZIUVDYJI-UHFFFAOYSA-N
XLogP2.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423861
3-(2-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423941
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423985
N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 33073670
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
2-[bis(prop-2-enyl)carbamoylamino]benzoic acid
CID 61193629
3-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424275
2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid
CID 61227372
1-(2-hydroxyethyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]-1-prop-2-enylurea
CID 111424041

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111423887) is 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is NEHBVLZIUVDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-2-7-17(8-9-18)13(19)16-10-5-3-4-6-11(10)20-12(14)15/h2-6,12,18H,1,7-9H2,(H,16,19).
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 286.28 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111423887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).