1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea

C15H18F3N3O3 — CID 95143295

IUPAC1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H18F3N3O3/c1-10(13(22)21-7-2-3-8-21)19-14(23)20-11-5-4-6-12(9-11)24-15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H2,19,20,23)/t10-/m1/s1
InChIKeyGSEMBIAGMRZMKW-SNVBAGLBSA-N
MW345.32 g/mol
LogP2.72
Rot. Bonds4

About 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea

1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 95143295) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID95143295
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H18F3N3O3/c1-10(13(22)21-7-2-3-8-21)19-14(23)20-11-5-4-6-12(9-11)24-15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H2,19,20,23)/t10-/m1/s1
InChIKeyGSEMBIAGMRZMKW-SNVBAGLBSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94819026
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94817434
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2-chloro-1-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 107105192
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 34440758

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea (CID 95143295) is 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea is C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N1CCCC1.
What is the InChIKey of 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is GSEMBIAGMRZMKW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-10(13(22)21-7-2-3-8-21)19-14(23)20-11-5-4-6-12(9-11)24-15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H2,19,20,23)/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea?
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 345.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 95143295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).