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

C13H18FN3O — CID 16777424

IUPAC1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
SMILESNc1ccc(F)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C13H18FN3O/c14-11-7-6-9(15)8-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18)
InChIKeyQTYIIGIHUJILAZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.86
Rot. Bonds2

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

1-(5-amino-2-fluorophenyl)-3-cyclohexylurea (PubChem CID 16777424) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
PubChem CID16777424
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
SMILESNc1ccc(F)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C13H18FN3O/c14-11-7-6-9(15)8-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18)
InChIKeyQTYIIGIHUJILAZ-UHFFFAOYSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
1-(4-amino-2-bromophenyl)-3-cyclohexylurea
CID 43551414
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea
CID 116658850
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-cyclopentylurea
CID 171547125
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea (CID 16777424) is 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea is Nc1ccc(F)c(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea?
The InChIKey is QTYIIGIHUJILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-7-6-9(15)8-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18).
What are the key properties of 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea?
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea has a molecular weight of 251.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluorophenyl)-3-cyclohexylurea is sourced from PubChem (CID 16777424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).