3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea

C16H22FN3O2 — CID 99831235

IUPAC3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCN(C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2/c1-19(13-4-2-12(17)3-5-13)16(21)18-10-15-11-20(8-9-22-15)14-6-7-14/h2-5,14-15H,6-11H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyKWUBTOXHJNUGOA-HNNXBMFYSA-N
MW307.37 g/mol
LogP1.83
Rot. Bonds4

About 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea

3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea (PubChem CID 99831235) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea
PubChem CID99831235
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCN(C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2/c1-19(13-4-2-12(17)3-5-13)16(21)18-10-15-11-20(8-9-22-15)14-6-7-14/h2-5,14-15H,6-11H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyKWUBTOXHJNUGOA-HNNXBMFYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea?
The IUPAC name of 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea (CID 99831235) is 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea.
What is the SMILES notation for 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea?
The canonical SMILES for 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea is CN(C(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1.
What is the InChIKey of 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea?
The InChIKey is KWUBTOXHJNUGOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-19(13-4-2-12(17)3-5-13)16(21)18-10-15-11-20(8-9-22-15)14-6-7-14/h2-5,14-15H,6-11H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea?
3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea has a molecular weight of 307.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-(4-fluorophenyl)-1-methylurea is sourced from PubChem (CID 99831235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).