3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

C14H15ClF3N3O2 — CID 96530790

IUPAC3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCN(C(=O)Nc1cccc(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H15ClF3N3O2/c1-20(13(23)19-10-4-2-3-9(15)7-10)11-5-6-21(12(11)22)8-14(16,17)18/h2-4,7,11H,5-6,8H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyONJRGGYFPRJPTM-LLVKDONJSA-N
MW349.74 g/mol
LogP2.97
Rot. Bonds3

About 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (PubChem CID 96530790) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
PubChem CID96530790
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC Name3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCN(C(=O)Nc1cccc(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H15ClF3N3O2/c1-20(13(23)19-10-4-2-3-9(15)7-10)11-5-6-21(12(11)22)8-14(16,17)18/h2-4,7,11H,5-6,8H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyONJRGGYFPRJPTM-LLVKDONJSA-N
XLogP2.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (CID 96530790) is 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is CN(C(=O)Nc1cccc(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The InChIKey is ONJRGGYFPRJPTM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c1-20(13(23)19-10-4-2-3-9(15)7-10)11-5-6-21(12(11)22)8-14(16,17)18/h2-4,7,11H,5-6,8H2,1H3,(H,19,23)/t11-/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea has a molecular weight of 349.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 96530790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).