1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea

C19H20FN3O2 — CID 40913151

IUPAC1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-2-6-16(7-3-13)22-19(25)21-11-14-10-18(24)23(12-14)17-8-4-15(20)5-9-17/h2-9,14H,10-12H2,1H3,(H2,21,22,25)/t14-/m0/s1
InChIKeyANPVBARNKQZJJT-AWEZNQCLSA-N
MW341.39 g/mol
LogP3.31
Rot. Bonds4

About 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea

1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea (PubChem CID 40913151) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
PubChem CID40913151
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-2-6-16(7-3-13)22-19(25)21-11-14-10-18(24)23(12-14)17-8-4-15(20)5-9-17/h2-9,14H,10-12H2,1H3,(H2,21,22,25)/t14-/m0/s1
InChIKeyANPVBARNKQZJJT-AWEZNQCLSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
CID 40913019
1-(4-ethoxyphenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920085
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920116
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
1-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913389
1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913409
1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920224
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea (CID 40913151) is 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The InChIKey is ANPVBARNKQZJJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-2-6-16(7-3-13)22-19(25)21-11-14-10-18(24)23(12-14)17-8-4-15(20)5-9-17/h2-9,14H,10-12H2,1H3,(H2,21,22,25)/t14-/m0/s1.
What are the key properties of 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea?
1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea has a molecular weight of 341.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 40913151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).