1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea

C13H16ClFN2O2 — CID 110890882

IUPAC1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cc(Cl)ccc1F)NC1CCC(O)CC1
InChIInChI=1S/C13H16ClFN2O2/c14-8-1-6-11(15)12(7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9-10,18H,2-5H2,(H2,16,17,19)
InChIKeyKLJHIKPUIWOBFH-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.90
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea

1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 110890882) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID110890882
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cc(Cl)ccc1F)NC1CCC(O)CC1
InChIInChI=1S/C13H16ClFN2O2/c14-8-1-6-11(15)12(7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9-10,18H,2-5H2,(H2,16,17,19)
InChIKeyKLJHIKPUIWOBFH-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
CID 17249915
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032
1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 56824183
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea (CID 110890882) is 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea is O=C(Nc1cc(Cl)ccc1F)NC1CCC(O)CC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is KLJHIKPUIWOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-8-1-6-11(15)12(7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9-10,18H,2-5H2,(H2,16,17,19).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 286.73 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110890882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).