3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea

C14H19ClN2O2 — CID 95706166

IUPAC3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
SMILESCN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19ClN2O2/c1-17(12-7-2-3-8-13(12)18)14(19)16-11-6-4-5-10(15)9-11/h4-6,9,12-13,18H,2-3,7-8H2,1H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyGTRNCAUWVKPZCA-STQMWFEESA-N
MW282.77 g/mol
LogP3.11
Rot. Bonds2

About 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea

3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea (PubChem CID 95706166) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
PubChem CID95706166
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
SMILESCN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19ClN2O2/c1-17(12-7-2-3-8-13(12)18)14(19)16-11-6-4-5-10(15)9-11/h4-6,9,12-13,18H,2-3,7-8H2,1H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyGTRNCAUWVKPZCA-STQMWFEESA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
CID 102633134
4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
CID 102633588
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
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3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629815
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 62980621
3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874785
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 96530790
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(3-methylphenyl)urea
CID 43596820

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea?
The IUPAC name of 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea (CID 95706166) is 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea is CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea?
The InChIKey is GTRNCAUWVKPZCA-STQMWFEESA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(12-7-2-3-8-13(12)18)14(19)16-11-6-4-5-10(15)9-11/h4-6,9,12-13,18H,2-3,7-8H2,1H3,(H,16,19)/t12-,13-/m0/s1.
What are the key properties of 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea?
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea has a molecular weight of 282.77 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea is sourced from PubChem (CID 95706166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).