1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

C18H19N3O2 — CID 43969282

IUPAC1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCc1ccc(NC(=O)NC2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19N3O2/c1-13-7-9-14(10-8-13)19-18(23)20-15-11-17(22)21(12-15)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3,(H2,19,20,23)
InChIKeyBFJPRLGWMNSREZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 43969282) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID43969282
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCc1ccc(NC(=O)NC2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19N3O2/c1-13-7-9-14(10-8-13)19-18(23)20-15-11-17(22)21(12-15)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3,(H2,19,20,23)
InChIKeyBFJPRLGWMNSREZ-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea
CID 7513892
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
1-(4-bromophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564143
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513457
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
1-(3,4-dichlorophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969456

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (CID 43969282) is 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is Cc1ccc(NC(=O)NC2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is BFJPRLGWMNSREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-7-9-14(10-8-13)19-18(23)20-15-11-17(22)21(12-15)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 309.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 43969282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).