4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

C24H25ClF3N3O2 — CID 55946013

IUPAC4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C24H25ClF3N3O2/c25-18-6-7-20(21(14-18)31-10-2-5-22(31)32)23(33)29-19-8-11-30(12-9-19)15-16-3-1-4-17(13-16)24(26,27)28/h1,3-4,6-7,13-14,19H,2,5,8-12,15H2,(H,29,33)
InChIKeyUXRMJUOTUPCZSP-UHFFFAOYSA-N
MW479.93 g/mol
LogP4.88
Rot. Bonds5

About 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 55946013) has the molecular formula C24H25ClF3N3O2 and a molecular weight of 479.93 g/mol. Its IUPAC name is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID55946013
Molecular FormulaC24H25ClF3N3O2
Molecular Weight479.93 g/mol
Exact Mass479.16
IUPAC Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C24H25ClF3N3O2/c25-18-6-7-20(21(14-18)31-10-2-5-22(31)32)23(33)29-19-8-11-30(12-9-19)15-16-3-1-4-17(13-16)24(26,27)28/h1,3-4,6-7,13-14,19H,2,5,8-12,15H2,(H,29,33)
InChIKeyUXRMJUOTUPCZSP-UHFFFAOYSA-N
XLogP4.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide 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-chloro-2-(2-oxopyrrolidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35151310
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 86891609
3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946382
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 17480349
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 55946013) is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is UXRMJUOTUPCZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O2/c25-18-6-7-20(21(14-18)31-10-2-5-22(31)32)23(33)29-19-8-11-30(12-9-19)15-16-3-1-4-17(13-16)24(26,27)28/h1,3-4,6-7,13-14,19H,2,5,8-12,15H2,(H,29,33).
What are the key properties of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 479.93 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55946013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).