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

C16H21FN2O — CID 108911960

IUPAC1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCCc1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c17-15-7-3-6-14(12-15)9-11-19-16(20)18-10-8-13-4-1-2-5-13/h3,6-8,10,12-13H,1-2,4-5,9,11H2,(H2,18,19,20)/b10-8+
InChIKeyQPGRLWHPSKJGFE-CSKARUKUSA-N
MW276.35 g/mol
LogP3.37
Rot. Bonds5

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

1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 108911960) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID108911960
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCCc1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c17-15-7-3-6-14(12-15)9-11-19-16(20)18-10-8-13-4-1-2-5-13/h3,6-8,10,12-13H,1-2,4-5,9,11H2,(H2,18,19,20)/b10-8+
InChIKeyQPGRLWHPSKJGFE-CSKARUKUSA-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 ≤ 500276.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108912333
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108911893
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
1-benzyl-3-[(E)-2-cyclopentylethenyl]urea
CID 108911687
1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
CID 108912320
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132
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
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 94017685
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea (CID 108911960) is 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea is O=C(N/C=C/C1CCCC1)NCCc1cccc(F)c1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is QPGRLWHPSKJGFE-CSKARUKUSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-7-3-6-14(12-15)9-11-19-16(20)18-10-8-13-4-1-2-5-13/h3,6-8,10,12-13H,1-2,4-5,9,11H2,(H2,18,19,20)/b10-8+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 276.35 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-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108911960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).