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

C16H21FN2O — CID 108911893

IUPAC1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c17-15-7-5-14(6-8-15)10-12-19-16(20)18-11-9-13-3-1-2-4-13/h5-9,11,13H,1-4,10,12H2,(H2,18,19,20)/b11-9+
InChIKeyRZUXCHQPQYCDPY-PKNBQFBNSA-N
MW276.36 g/mol
LogP3.37
Rot. Bonds5

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

1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 108911893) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID108911893
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c17-15-7-5-14(6-8-15)10-12-19-16(20)18-11-9-13-3-1-2-4-13/h5-9,11,13H,1-4,10,12H2,(H2,18,19,20)/b11-9+
InChIKeyRZUXCHQPQYCDPY-PKNBQFBNSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.37
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-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108912333
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
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-[(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
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915195
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 108911893) is 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea is O=C(N/C=C/C1CCCC1)NCCc1ccc(F)cc1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is RZUXCHQPQYCDPY-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-7-5-14(6-8-15)10-12-19-16(20)18-11-9-13-3-1-2-4-13/h5-9,11,13H,1-4,10,12H2,(H2,18,19,20)/b11-9+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 276.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108911893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).