1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea

C13H17FN2O2 — CID 64780517

IUPAC1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)c(F)c1)NC1CCCCC1
InChIInChI=1S/C13H17FN2O2/c14-11-8-10(6-7-12(11)17)16-13(18)15-9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H2,15,16,18)
InChIKeyOAWKWNFRIYMKFX-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.99
Rot. Bonds2

About 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea

1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea (PubChem CID 64780517) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
PubChem CID64780517
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)c(F)c1)NC1CCCCC1
InChIInChI=1S/C13H17FN2O2/c14-11-8-10(6-7-12(11)17)16-13(18)15-9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H2,15,16,18)
InChIKeyOAWKWNFRIYMKFX-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)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-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
CID 112990296
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea (CID 64780517) is 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea is O=C(Nc1ccc(O)c(F)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The InChIKey is OAWKWNFRIYMKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-8-10(6-7-12(11)17)16-13(18)15-9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea?
1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea has a molecular weight of 252.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea is sourced from PubChem (CID 64780517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).