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

C13H16F2N2O2 — CID 47091282

IUPAC1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCCCC1O
InChIInChI=1S/C13H16F2N2O2/c14-8-5-6-10(9(15)7-8)16-13(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4H2,(H2,16,17,19)
InChIKeyDEPGTKUDHIHAMA-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.39
Rot. Bonds2

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

1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 47091282) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID47091282
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCCCC1O
InChIInChI=1S/C13H16F2N2O2/c14-8-5-6-10(9(15)7-8)16-13(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4H2,(H2,16,17,19)
InChIKeyDEPGTKUDHIHAMA-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
CID 111103807
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
1-(2-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 62956599
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
CID 27235394
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea (CID 47091282) is 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea is O=C(Nc1ccc(F)cc1F)NC1CCCCC1O.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is DEPGTKUDHIHAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-8-5-6-10(9(15)7-8)16-13(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4H2,(H2,16,17,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea?
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 270.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 47091282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).