1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea

C13H15F3N2O2 — CID 111103807

IUPAC1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)cc1F)NC1CCCCC1O
InChIInChI=1S/C13H15F3N2O2/c14-7-5-9(16)11(6-8(7)15)18-13(20)17-10-3-1-2-4-12(10)19/h5-6,10,12,19H,1-4H2,(H2,17,18,20)
InChIKeyCPRSCJFTMBYXCL-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.53
Rot. Bonds2

About 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea

1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea (PubChem CID 111103807) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
PubChem CID111103807
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)cc1F)NC1CCCCC1O
InChIInChI=1S/C13H15F3N2O2/c14-7-5-9(16)11(6-8(7)15)18-13(20)17-10-3-1-2-4-12(10)19/h5-6,10,12,19H,1-4H2,(H2,17,18,20)
InChIKeyCPRSCJFTMBYXCL-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)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-hydroxycyclohexyl)urea
CID 47091282
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854411
2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107796245
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea (CID 111103807) is 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea is O=C(Nc1cc(F)c(F)cc1F)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea?
The InChIKey is CPRSCJFTMBYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-7-5-9(16)11(6-8(7)15)18-13(20)17-10-3-1-2-4-12(10)19/h5-6,10,12,19H,1-4H2,(H2,17,18,20).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea?
1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea has a molecular weight of 288.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea is sourced from PubChem (CID 111103807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).