1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

C18H16F3N3O2 — CID 7513460

IUPAC1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)12-6-8-13(9-7-12)22-17(26)23-14-10-16(25)24(11-14)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H2,22,23,26)/t14-/m0/s1
InChIKeyRRFSJHYWJLTKKW-AWEZNQCLSA-N
MW363.34 g/mol
LogP3.63
Rot. Bonds3

About 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 7513460) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID7513460
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)12-6-8-13(9-7-12)22-17(26)23-14-10-16(25)24(11-14)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H2,22,23,26)/t14-/m0/s1
InChIKeyRRFSJHYWJLTKKW-AWEZNQCLSA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 7513460) is 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is RRFSJHYWJLTKKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)12-6-8-13(9-7-12)22-17(26)23-14-10-16(25)24(11-14)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H2,22,23,26)/t14-/m0/s1.
What are the key properties of 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 363.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 7513460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).