1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea

C13H17ClN2O2 — CID 3449806

IUPAC1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCCC1O
InChIInChI=1S/C13H17ClN2O2/c14-9-4-3-5-10(8-9)15-13(18)16-11-6-1-2-7-12(11)17/h3-5,8,11-12,17H,1-2,6-7H2,(H2,15,16,18)
InChIKeyRAULSMHSZFLGGP-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.77
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea

1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 3449806) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID3449806
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCCC1O
InChIInChI=1S/C13H17ClN2O2/c14-9-4-3-5-10(8-9)15-13(18)16-11-6-1-2-7-12(11)17/h3-5,8,11-12,17H,1-2,6-7H2,(H2,15,16,18)
InChIKeyRAULSMHSZFLGGP-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
1-(3-chlorophenyl)-3-[(1S,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 175170753
1-(3-chlorophenyl)-3-[(1R,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 134359666
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea (CID 3449806) is 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea is O=C(Nc1cccc(Cl)c1)NC1CCCCC1O.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is RAULSMHSZFLGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-9-4-3-5-10(8-9)15-13(18)16-11-6-1-2-7-12(11)17/h3-5,8,11-12,17H,1-2,6-7H2,(H2,15,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea?
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 268.74 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 3449806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).