1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea

C13H17FN2O2 — CID 113258094

IUPAC1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-10(2)9-18-8-7-15-13(17)16-12-6-4-3-5-11(12)14/h3-6H,1,7-9H2,2H3,(H2,15,16,17)
InChIKeyRCFIWAPQBQQAFI-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.54
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea

1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea (PubChem CID 113258094) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
PubChem CID113258094
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-10(2)9-18-8-7-15-13(17)16-12-6-4-3-5-11(12)14/h3-6H,1,7-9H2,2H3,(H2,15,16,17)
InChIKeyRCFIWAPQBQQAFI-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917488
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
5-chloro-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469348
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
3-chloro-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469438
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
CID 115629205
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
3-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469487
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea (CID 113258094) is 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea is C=C(C)COCCNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The InChIKey is RCFIWAPQBQQAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-10(2)9-18-8-7-15-13(17)16-12-6-4-3-5-11(12)14/h3-6H,1,7-9H2,2H3,(H2,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea has a molecular weight of 252.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea is sourced from PubChem (CID 113258094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).