1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea

C17H22F3N3O2 — CID 51126470

IUPAC1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)N(C)CC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O2/c1-12(13-6-5-7-14(10-13)17(18,19)20)21-16(25)22(2)11-15(24)23-8-3-4-9-23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,21,25)
InChIKeyZPSSPIJAYKKVEJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.03
Rot. Bonds4

About 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea

1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 51126470) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID51126470
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)N(C)CC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O2/c1-12(13-6-5-7-14(10-13)17(18,19)20)21-16(25)22(2)11-15(24)23-8-3-4-9-23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,21,25)
InChIKeyZPSSPIJAYKKVEJ-UHFFFAOYSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86999776
1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86867215
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
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CID 78888469
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
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CID 119686311
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86938995
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 51126470) is 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)N(C)CC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is ZPSSPIJAYKKVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-12(13-6-5-7-14(10-13)17(18,19)20)21-16(25)22(2)11-15(24)23-8-3-4-9-23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 357.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 51126470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).