1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

C17H20F3N3O2 — CID 20890974

IUPAC1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)11-4-3-5-12(8-11)21-16(25)22-13-9-15(24)23(10-13)14-6-1-2-7-14/h3-5,8,13-14H,1-2,6-7,9-10H2,(H2,21,22,25)
InChIKeyAKMATXIOAFTBJA-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.37
Rot. Bonds3

About 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 20890974) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID20890974
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)11-4-3-5-12(8-11)21-16(25)22-13-9-15(24)23(10-13)14-6-1-2-7-14/h3-5,8,13-14H,1-2,6-7,9-10H2,(H2,21,22,25)
InChIKeyAKMATXIOAFTBJA-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 20890974) is 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is AKMATXIOAFTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)11-4-3-5-12(8-11)21-16(25)22-13-9-15(24)23(10-13)14-6-1-2-7-14/h3-5,8,13-14H,1-2,6-7,9-10H2,(H2,21,22,25).
What are the key properties of 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 355.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 20890974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).