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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Related Compounds

N,N-dimethyl-4-[2-(methylaminomethyl)morpholin-4-yl]piperidine-1-carboxamide
CID 83261507
3-(4-bromophenyl)-N-[(4-cyclopropylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 86953679
1-(4-chlorophenyl)-1-methyl-3-[[4-(naphthalen-1-ylmethyl)morpholin-2-yl]methyl]urea
CID 142661459
(2S)-N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 124738333
1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 119124710
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
1-cyclopropyl-3-[(4-cyclopropylmorpholin-2-yl)methyl]-2-methylguanidine
CID 122082742
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 119124636
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 138010008
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826

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).