1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea

C20H22FN3O3 — CID 40913019

IUPAC1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C20H22FN3O3/c1-2-27-18-9-7-17(8-10-18)24-13-14(11-19(24)25)12-22-20(26)23-16-5-3-15(21)4-6-16/h3-10,14H,2,11-13H2,1H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyLDUPBBRIRSGDIC-CQSZACIVSA-N
MW371.41 g/mol
LogP3.40
Rot. Bonds6

About 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea

1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea (PubChem CID 40913019) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
PubChem CID40913019
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C20H22FN3O3/c1-2-27-18-9-7-17(8-10-18)24-13-14(11-19(24)25)12-22-20(26)23-16-5-3-15(21)4-6-16/h3-10,14H,2,11-13H2,1H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyLDUPBBRIRSGDIC-CQSZACIVSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920085
1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 40913025
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
1-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 16920029
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 40913151
1-(3,4-dimethoxyphenyl)-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920030
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
1-(1,3-benzodioxol-5-yl)-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920032
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 40913100
1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920116
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea (CID 40913019) is 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea is CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea?
The InChIKey is LDUPBBRIRSGDIC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-2-27-18-9-7-17(8-10-18)24-13-14(11-19(24)25)12-22-20(26)23-16-5-3-15(21)4-6-16/h3-10,14H,2,11-13H2,1H3,(H2,22,23,26)/t14-/m1/s1.
What are the key properties of 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea?
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea has a molecular weight of 371.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 40913019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).