1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea

C18H15FN4O2 — CID 175838324

IUPAC1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESN#Cc1ccc(N2CC(NC(=O)Nc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-3-5-14(6-4-13)21-18(25)22-15-9-17(24)23(11-15)16-7-1-12(10-20)2-8-16/h1-8,15H,9,11H2,(H2,21,22,25)
InChIKeyHMBCLWBZRMEJLO-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea

1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 175838324) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID175838324
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESN#Cc1ccc(N2CC(NC(=O)Nc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-3-5-14(6-4-13)21-18(25)22-15-9-17(24)23(11-15)16-7-1-12(10-20)2-8-16/h1-8,15H,9,11H2,(H2,21,22,25)
InChIKeyHMBCLWBZRMEJLO-UHFFFAOYSA-N
XLogP2.62
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-sulfamoylphenyl)urea
CID 16819889
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 175838407
ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7548237
N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7548375
1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970352
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 7552255
1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564439

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea (CID 175838324) is 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea is N#Cc1ccc(N2CC(NC(=O)Nc3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is HMBCLWBZRMEJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-3-5-14(6-4-13)21-18(25)22-15-9-17(24)23(11-15)16-7-1-12(10-20)2-8-16/h1-8,15H,9,11H2,(H2,21,22,25).
What are the key properties of 1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 338.34 g/mol, XLogP of 2.62, 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-(4-fluorophenyl)urea is sourced from PubChem (CID 175838324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).