1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea

C13H14F2N2O — CID 108913742

IUPAC1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(NC=C1CCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c14-10-5-6-12(11(15)7-10)17-13(18)16-8-9-3-1-2-4-9/h5-8H,1-4H2,(H2,16,17,18)
InChIKeyKFOXNISUYIFOJU-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.54
Rot. Bonds2

About 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea

1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea (PubChem CID 108913742) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea
PubChem CID108913742
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(NC=C1CCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c14-10-5-6-12(11(15)7-10)17-13(18)16-8-9-3-1-2-4-9/h5-8H,1-4H2,(H2,16,17,18)
InChIKeyKFOXNISUYIFOJU-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108910070
1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
CID 108912676
1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908226
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea
CID 108912646
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(cyclohexylidenemethyl)-3-(2-methylphenyl)urea
CID 108912377

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea (CID 108913742) is 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea is O=C(NC=C1CCCC1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is KFOXNISUYIFOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c14-10-5-6-12(11(15)7-10)17-13(18)16-8-9-3-1-2-4-9/h5-8H,1-4H2,(H2,16,17,18).
What are the key properties of 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea?
1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 252.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 108913742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).