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

C19H18F3N3O2 — CID 16819700

IUPAC1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(N2CC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C19H18F3N3O2/c1-12-5-7-16(8-6-12)25-11-15(10-17(25)26)24-18(27)23-14-4-2-3-13(9-14)19(20,21)22/h2-9,15H,10-11H2,1H3,(H2,23,24,27)
InChIKeyDWCNUOQKRSWDQF-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.94
Rot. Bonds3

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

1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 16819700) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID16819700
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(N2CC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C19H18F3N3O2/c1-12-5-7-16(8-6-12)25-11-15(10-17(25)26)24-18(27)23-14-4-2-3-13(9-14)19(20,21)22/h2-9,15H,10-11H2,1H3,(H2,23,24,27)
InChIKeyDWCNUOQKRSWDQF-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 7549174
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-(3-bromophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513862
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969475
1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970352
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969471
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-(3,4-dichlorophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969456
N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7548375

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 16819700) is 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1ccc(N2CC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is DWCNUOQKRSWDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-12-5-7-16(8-6-12)25-11-15(10-17(25)26)24-18(27)23-14-4-2-3-13(9-14)19(20,21)22/h2-9,15H,10-11H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 377.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 16819700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).