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

C24H24N4O2 — CID 43969485

IUPAC1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C24H24N4O2/c1-17-7-13-22(14-8-17)28-16-21(15-23(28)29)27-24(30)26-20-11-9-19(10-12-20)25-18-5-3-2-4-6-18/h2-14,21,25H,15-16H2,1H3,(H2,26,27,30)
InChIKeyJFINQQTYCWGTTC-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.67
Rot. Bonds5

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

1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969485) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969485
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C24H24N4O2/c1-17-7-13-22(14-8-17)28-16-21(15-23(28)29)27-24(30)26-20-11-9-19(10-12-20)25-18-5-3-2-4-6-18/h2-14,21,25H,15-16H2,1H3,(H2,26,27,30)
InChIKeyJFINQQTYCWGTTC-UHFFFAOYSA-N
XLogP4.67
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea
CID 7513892
1-(4-anilinophenyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969649
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-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(3-bromophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513862
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513457
1-(3,4-dichlorophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969456
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969485) is 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is Cc1ccc(N2CC(NC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is JFINQQTYCWGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-7-13-22(14-8-17)28-16-21(15-23(28)29)27-24(30)26-20-11-9-19(10-12-20)25-18-5-3-2-4-6-18/h2-14,21,25H,15-16H2,1H3,(H2,26,27,30).
What are the key properties of 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 400.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).