1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea

C15H18F2N2O — CID 108914116

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
SMILESC/C(=C\NC(=O)Nc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C15H18F2N2O/c1-10(11-4-2-3-5-11)9-18-15(20)19-14-8-12(16)6-7-13(14)17/h6-9,11H,2-5H2,1H3,(H2,18,19,20)/b10-9+
InChIKeyFCYRPHRRGLYHBI-MDZDMXLPSA-N
MW280.32 g/mol
LogP4.18
Rot. Bonds3

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea

1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea (PubChem CID 108914116) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
PubChem CID108914116
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
SMILESC/C(=C\NC(=O)Nc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C15H18F2N2O/c1-10(11-4-2-3-5-11)9-18-15(20)19-14-8-12(16)6-7-13(14)17/h6-9,11H,2-5H2,1H3,(H2,18,19,20)/b10-9+
InChIKeyFCYRPHRRGLYHBI-MDZDMXLPSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,6-difluorophenyl)urea
CID 108913961
3-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzoic acid
CID 108913800
3-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043354
1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108910070
1-(2,5-difluorophenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911187
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108914073
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea (CID 108914116) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea is C/C(=C\NC(=O)Nc1cc(F)ccc1F)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea?
The InChIKey is FCYRPHRRGLYHBI-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-10(11-4-2-3-5-11)9-18-15(20)19-14-8-12(16)6-7-13(14)17/h6-9,11H,2-5H2,1H3,(H2,18,19,20)/b10-9+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea has a molecular weight of 280.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 108914116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).