1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea

C17H23FN2O — CID 108912333

IUPAC1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CCCCC1)NCCc1cccc(F)c1
InChIInChI=1S/C17H23FN2O/c18-16-8-4-7-15(13-16)10-12-20-17(21)19-11-9-14-5-2-1-3-6-14/h4,7-9,11,13-14H,1-3,5-6,10,12H2,(H2,19,20,21)/b11-9+
InChIKeyGOSRYARNPBBKBR-PKNBQFBNSA-N
MW290.38 g/mol
LogP3.76
Rot. Bonds5

About 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea

1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 108912333) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID108912333
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CCCCC1)NCCc1cccc(F)c1
InChIInChI=1S/C17H23FN2O/c18-16-8-4-7-15(13-16)10-12-20-17(21)19-11-9-14-5-2-1-3-6-14/h4,7-9,11,13-14H,1-3,5-6,10,12H2,(H2,19,20,21)/b11-9+
InChIKeyGOSRYARNPBBKBR-PKNBQFBNSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108911893
1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
CID 108912320
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
1-benzyl-3-[(E)-2-cyclopentylethenyl]urea
CID 108911687
1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108916003
1-[(E)-2-cyclopropylethenyl]-3-(4-phenylbutyl)urea
CID 108916022
1-[(E)-2-cyclopropylethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108915719
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea (CID 108912333) is 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea is O=C(N/C=C/C1CCCCC1)NCCc1cccc(F)c1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is GOSRYARNPBBKBR-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-8-4-7-15(13-16)10-12-20-17(21)19-11-9-14-5-2-1-3-6-14/h4,7-9,11,13-14H,1-3,5-6,10,12H2,(H2,19,20,21)/b11-9+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 290.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108912333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).