1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea

C16H16F3N3O2 — CID 94657175

IUPAC1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
SMILESC[C@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccccn1
InChIInChI=1S/C16H16F3N3O2/c1-11(21-15(23)22-14-8-4-5-9-20-14)10-24-13-7-3-2-6-12(13)16(17,18)19/h2-9,11H,10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyJJIVSSAKXRAZDS-LLVKDONJSA-N
MW339.32 g/mol
LogP3.69
Rot. Bonds5

About 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea

1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea (PubChem CID 94657175) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
PubChem CID94657175
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
SMILESC[C@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccccn1
InChIInChI=1S/C16H16F3N3O2/c1-11(21-15(23)22-14-8-4-5-9-20-14)10-24-13-7-3-2-6-12(13)16(17,18)19/h2-9,11H,10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyJJIVSSAKXRAZDS-LLVKDONJSA-N
XLogP3.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-1,2-oxazole-4-carboxamide
CID 94621379
1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 86832975
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
1-propan-2-yl-5-(trifluoromethyl)-N-[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 52833776
3,5-difluoro-N-[2-oxo-2-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylamino]ethyl]benzamide
CID 56581375
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
2-acetamido-3-[2-(trifluoromethyl)phenoxy]propanoic acid
CID 65442776
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
1-[(1S)-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylurea
CID 52521709
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one
CID 95781672

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea?
The IUPAC name of 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea (CID 94657175) is 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea.
What is the SMILES notation for 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea?
The canonical SMILES for 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea is C[C@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea?
The InChIKey is JJIVSSAKXRAZDS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-11(21-15(23)22-14-8-4-5-9-20-14)10-24-13-7-3-2-6-12(13)16(17,18)19/h2-9,11H,10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1.
What are the key properties of 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea?
1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea has a molecular weight of 339.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea is sourced from PubChem (CID 94657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).