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

C19H17F4N3O2 — CID 43969475

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C19H17F4N3O2/c1-11-2-5-14(6-3-11)26-10-13(9-17(26)27)25-18(28)24-12-4-7-16(20)15(8-12)19(21,22)23/h2-8,13H,9-10H2,1H3,(H2,24,25,28)
InChIKeyVWVDSEVLPUQIPH-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.08
Rot. Bonds3

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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969475) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969475
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C19H17F4N3O2/c1-11-2-5-14(6-3-11)26-10-13(9-17(26)27)25-18(28)24-12-4-7-16(20)15(8-12)19(21,22)23/h2-8,13H,9-10H2,1H3,(H2,24,25,28)
InChIKeyVWVDSEVLPUQIPH-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513912
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969471
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 16819700
1-(3,4-dichlorophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969456
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-(4-bromophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564143
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
1-(3-bromophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513862
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969475) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is Cc1ccc(N2CC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2=O)cc1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is VWVDSEVLPUQIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c1-11-2-5-14(6-3-11)26-10-13(9-17(26)27)25-18(28)24-12-4-7-16(20)15(8-12)19(21,22)23/h2-8,13H,9-10H2,1H3,(H2,24,25,28).
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 395.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).