1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea

C25H24F3N3O2 — CID 153341446

IUPAC1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccccc1-c1ccc(N2CCCC2=O)cc1.NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17NO.C8H7F3N2O/c1-13-5-2-3-6-16(13)14-8-10-15(11-9-14)18-12-4-7-17(18)19;9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h2-3,5-6,8-11H,4,7,12H2,1H3;1-4H,(H3,12,13,14)
InChIKeyGELATIHRQMRJME-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.98
Rot. Bonds3

About 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea

1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea (PubChem CID 153341446) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea
PubChem CID153341446
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccccc1-c1ccc(N2CCCC2=O)cc1.NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17NO.C8H7F3N2O/c1-13-5-2-3-6-16(13)14-8-10-15(11-9-14)18-12-4-7-17(18)19;9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h2-3,5-6,8-11H,4,7,12H2,1H3;1-4H,(H3,12,13,14)
InChIKeyGELATIHRQMRJME-UHFFFAOYSA-N
XLogP5.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]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

4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 65173490
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618121
2-[2-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26542736
3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 27677053
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea (CID 153341446) is 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea is Cc1ccccc1-c1ccc(N2CCCC2=O)cc1.NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea?
The InChIKey is GELATIHRQMRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.C8H7F3N2O/c1-13-5-2-3-6-16(13)14-8-10-15(11-9-14)18-12-4-7-17(18)19;9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h2-3,5-6,8-11H,4,7,12H2,1H3;1-4H,(H3,12,13,14).
What are the key properties of 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea?
1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea has a molecular weight of 455.48 g/mol, XLogP of 5.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 153341446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).