1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea

C19H15F3N4O2 — CID 175838407

IUPAC1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESN#Cc1ccc(N2CC(NC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)15-3-1-2-4-16(15)25-18(28)24-13-9-17(27)26(11-13)14-7-5-12(10-23)6-8-14/h1-8,13H,9,11H2,(H2,24,25,28)
InChIKeyBHKHILNRXZGZEW-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.50
Rot. Bonds3

About 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea

1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 175838407) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID175838407
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESN#Cc1ccc(N2CC(NC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)15-3-1-2-4-16(15)25-18(28)24-13-9-17(27)26(11-13)14-7-5-12(10-23)6-8-14/h1-8,13H,9,11H2,(H2,24,25,28)
InChIKeyBHKHILNRXZGZEW-UHFFFAOYSA-N
XLogP3.50
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 175838324
1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166541380
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108876751
1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548162
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 7546827
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969475
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 40913100
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970352

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea (CID 175838407) is 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea is N#Cc1ccc(N2CC(NC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is BHKHILNRXZGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)15-3-1-2-4-16(15)25-18(28)24-13-9-17(27)26(11-13)14-7-5-12(10-23)6-8-14/h1-8,13H,9,11H2,(H2,24,25,28).
What are the key properties of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 388.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 175838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).