3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C16H23ClN2O2 — CID 84595053

IUPAC3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCN(CC(C)(C)O)C(=O)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,21)11-19(3)14(20)18-10-16(8-9-16)12-6-4-5-7-13(12)17/h4-7,21H,8-11H2,1-3H3,(H,18,20)
InChIKeyOMNMMRMRRDGMON-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.78
Rot. Bonds5

About 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 84595053) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID84595053
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCN(CC(C)(C)O)C(=O)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,21)11-19(3)14(20)18-10-16(8-9-16)12-6-4-5-7-13(12)17/h4-7,21H,8-11H2,1-3H3,(H,18,20)
InChIKeyOMNMMRMRRDGMON-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 84595053) is 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is CN(CC(C)(C)O)C(=O)NCC1(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is OMNMMRMRRDGMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-15(2,21)11-19(3)14(20)18-10-16(8-9-16)12-6-4-5-7-13(12)17/h4-7,21H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 310.83 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 84595053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).