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

C14H17FN2O — CID 108916003

IUPAC1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CC1)NCCc1ccccc1F
InChIInChI=1S/C14H17FN2O/c15-13-4-2-1-3-12(13)8-10-17-14(18)16-9-7-11-5-6-11/h1-4,7,9,11H,5-6,8,10H2,(H2,16,17,18)/b9-7+
InChIKeyRYGPBIKTTGEYJZ-VQHVLOKHSA-N
MW248.30 g/mol
LogP2.59
Rot. Bonds5

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

1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 108916003) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID108916003
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/C1CC1)NCCc1ccccc1F
InChIInChI=1S/C14H17FN2O/c15-13-4-2-1-3-12(13)8-10-17-14(18)16-9-7-11-5-6-11/h1-4,7,9,11H,5-6,8,10H2,(H2,16,17,18)/b9-7+
InChIKeyRYGPBIKTTGEYJZ-VQHVLOKHSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea
CID 108911956
1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108911582
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895027
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 108916003) is 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea is O=C(N/C=C/C1CC1)NCCc1ccccc1F.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is RYGPBIKTTGEYJZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-13-4-2-1-3-12(13)8-10-17-14(18)16-9-7-11-5-6-11/h1-4,7,9,11H,5-6,8,10H2,(H2,16,17,18)/b9-7+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 248.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108916003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).