1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea

C13H17FN2O3 — CID 108908090

IUPAC1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)NCCOCCO
InChIInChI=1S/C13H17FN2O3/c14-12-3-1-11(2-4-12)5-6-15-13(18)16-7-9-19-10-8-17/h1-6,17H,7-10H2,(H2,15,16,18)/b6-5+
InChIKeyGYRPYXXOURXGCK-AATRIKPKSA-N
MW268.29 g/mol
LogP1.10
Rot. Bonds7

About 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 108908090) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID108908090
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)NCCOCCO
InChIInChI=1S/C13H17FN2O3/c14-12-3-1-11(2-4-12)5-6-15-13(18)16-7-9-19-10-8-17/h1-6,17H,7-10H2,(H2,15,16,18)/b6-5+
InChIKeyGYRPYXXOURXGCK-AATRIKPKSA-N
XLogP1.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908089
methyl 2-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]acetate
CID 108908234
6-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]hexanoic acid
CID 108907989
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
CID 108908110
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108908257
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908830
2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654674
1-[(3-bromophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908245
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907964
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea (CID 108908090) is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea is O=C(N/C=C/c1ccc(F)cc1)NCCOCCO.
What is the InChIKey of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is GYRPYXXOURXGCK-AATRIKPKSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-12-3-1-11(2-4-12)5-6-15-13(18)16-7-9-19-10-8-17/h1-6,17H,7-10H2,(H2,15,16,18)/b6-5+.
What are the key properties of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea?
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 268.29 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 108908090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).