1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea

C12H15ClN2O2 — CID 40546318

IUPAC1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H15ClN2O2/c13-8-4-6-9(7-5-8)14-12(17)15-10-2-1-3-11(10)16/h4-7,10-11,16H,1-3H2,(H2,14,15,17)/t10-,11-/m1/s1
InChIKeyLULOKAHYLKEDEH-GHMZBOCLSA-N
MW254.72 g/mol
LogP2.37
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea

1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea (PubChem CID 40546318) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
PubChem CID40546318
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H15ClN2O2/c13-8-4-6-9(7-5-8)14-12(17)15-10-2-1-3-11(10)16/h4-7,10-11,16H,1-3H2,(H2,14,15,17)/t10-,11-/m1/s1
InChIKeyLULOKAHYLKEDEH-GHMZBOCLSA-N
XLogP2.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea
CID 73138755
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
CID 147474562
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea (CID 40546318) is 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea is O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]1O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
The InChIKey is LULOKAHYLKEDEH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-4-6-9(7-5-8)14-12(17)15-10-2-1-3-11(10)16/h4-7,10-11,16H,1-3H2,(H2,14,15,17)/t10-,11-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea has a molecular weight of 254.72 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea is sourced from PubChem (CID 40546318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).