3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea

C14H19ClN2O2 — CID 95706051

IUPAC3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19ClN2O2/c1-17(12-4-2-3-5-13(12)18)14(19)16-11-8-6-10(15)7-9-11/h6-9,12-13,18H,2-5H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyJVALJLIHLSJDCM-OLZOCXBDSA-N
MW282.77 g/mol
LogP3.11
Rot. Bonds2

About 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea

3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea (PubChem CID 95706051) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
PubChem CID95706051
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19ClN2O2/c1-17(12-4-2-3-5-13(12)18)14(19)16-11-8-6-10(15)7-9-11/h6-9,12-13,18H,2-5H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyJVALJLIHLSJDCM-OLZOCXBDSA-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

4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
CID 102633588
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-3-(4-chlorophenyl)-1-methylurea
CID 99936059
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 63643002
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
CID 102633134
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
3-(4-fluorophenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]-1-methylthiourea
CID 100641512
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide
CID 102635562
1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea
CID 107654170
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea (CID 95706051) is 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea is CN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea?
The InChIKey is JVALJLIHLSJDCM-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(12-4-2-3-5-13(12)18)14(19)16-11-8-6-10(15)7-9-11/h6-9,12-13,18H,2-5H2,1H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea?
3-(4-chlorophenyl)-1-[(1R,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-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea is sourced from PubChem (CID 95706051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).