1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea

C13H16BrClN2O2 — CID 56824183

IUPAC1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cc(Br)ccc1Cl)NC1CCC(O)CC1
InChIInChI=1S/C13H16BrClN2O2/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)
InChIKeyMXUFFCODJWNXGE-UHFFFAOYSA-N
MW347.64 g/mol
LogP3.53
Rot. Bonds2

About 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea

1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 56824183) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID56824183
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cc(Br)ccc1Cl)NC1CCC(O)CC1
InChIInChI=1S/C13H16BrClN2O2/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)
InChIKeyMXUFFCODJWNXGE-UHFFFAOYSA-N
XLogP3.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-3-cyclopentylthiourea
CID 116508391
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
4-bromo-3-[(4-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107813922
1-cyclobutyl-3-(2,4-dibromophenyl)urea
CID 115617878
4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclopropylurea
CID 114002745
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(5-bromo-2-chlorophenyl)-3-ethylurea
CID 60981700
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
2-amino-N-(5-bromo-2-chlorophenyl)-2-cyclopropylpropanamide
CID 62908062

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea (CID 56824183) is 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea is O=C(Nc1cc(Br)ccc1Cl)NC1CCC(O)CC1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is MXUFFCODJWNXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/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-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea?
1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 347.64 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 56824183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).