1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea

C13H16ClFN2O — CID 47103534

IUPAC1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
SMILESO=C(Nc1cc(Cl)ccc1F)NC1CCCCC1
InChIInChI=1S/C13H16ClFN2O/c14-9-6-7-11(15)12(8-9)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18)
InChIKeyAWRYDFATPZVUNF-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.93
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea

1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea (PubChem CID 47103534) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
PubChem CID47103534
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
SMILESO=C(Nc1cc(Cl)ccc1F)NC1CCCCC1
InChIInChI=1S/C13H16ClFN2O/c14-9-6-7-11(15)12(8-9)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18)
InChIKeyAWRYDFATPZVUNF-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea 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-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea (CID 47103534) is 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea is O=C(Nc1cc(Cl)ccc1F)NC1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea?
The InChIKey is AWRYDFATPZVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-9-6-7-11(15)12(8-9)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea?
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea has a molecular weight of 270.73 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea is sourced from PubChem (CID 47103534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).