1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea

C12H13FN2O — CID 108908110

IUPAC1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h2-7,9H,1,8H2,(H2,14,15,16)/b9-7+
InChIKeyPYOKMCMGQHAYMO-VQHVLOKHSA-N
MW220.25 g/mol
LogP2.28
Rot. Bonds4

About 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea (PubChem CID 108908110) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
PubChem CID108908110
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h2-7,9H,1,8H2,(H2,14,15,16)/b9-7+
InChIKeyPYOKMCMGQHAYMO-VQHVLOKHSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908089
methyl 2-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]acetate
CID 108908234
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108908090
6-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]hexanoic acid
CID 108907989
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-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907964
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108908056
1-[(3-bromophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908245

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea?
The IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea (CID 108908110) is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea is C=CCNC(=O)N/C=C/c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea?
The InChIKey is PYOKMCMGQHAYMO-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h2-7,9H,1,8H2,(H2,14,15,16)/b9-7+.
What are the key properties of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea?
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea has a molecular weight of 220.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea is sourced from PubChem (CID 108908110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).