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

C18H18FN3O2 — CID 7548160

IUPAC1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FN3O2/c1-12-2-6-14(7-3-12)20-18(24)21-15-10-17(23)22(11-15)16-8-4-13(19)5-9-16/h2-9,15H,10-11H2,1H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyJUVJBGSVFLCYKO-HNNXBMFYSA-N
MW327.36 g/mol
LogP3.06
Rot. Bonds3

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

1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea (PubChem CID 7548160) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
PubChem CID7548160
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FN3O2/c1-12-2-6-14(7-3-12)20-18(24)21-15-10-17(23)22(11-15)16-8-4-13(19)5-9-16/h2-9,15H,10-11H2,1H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyJUVJBGSVFLCYKO-HNNXBMFYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-(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-(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-(trifluoromethyl)phenyl]urea
CID 7548209
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 175838324
ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7548237
1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513912
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-sulfamoylphenyl)urea
CID 16819889

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea (CID 7548160) is 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
The InChIKey is JUVJBGSVFLCYKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-2-6-14(7-3-12)20-18(24)21-15-10-17(23)22(11-15)16-8-4-13(19)5-9-16/h2-9,15H,10-11H2,1H3,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea?
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea has a molecular weight of 327.36 g/mol, XLogP of 3.06, 3 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]-3-(4-methylphenyl)urea is sourced from PubChem (CID 7548160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).