4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide

C23H26ClN3O3 — CID 112819938

IUPAC4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C23H26ClN3O3/c1-15(2)21(26-22(29)16-9-11-17(24)12-10-16)23(30)25-18-6-5-7-19(14-18)27-13-4-3-8-20(27)28/h5-7,9-12,14-15,21H,3-4,8,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyHRPJBBZCUVBCLK-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.25
Rot. Bonds6

About 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide (PubChem CID 112819938) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide
PubChem CID112819938
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C23H26ClN3O3/c1-15(2)21(26-22(29)16-9-11-17(24)12-10-16)23(30)25-18-6-5-7-19(14-18)27-13-4-3-8-20(27)28/h5-7,9-12,14-15,21H,3-4,8,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyHRPJBBZCUVBCLK-UHFFFAOYSA-N
XLogP4.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 51213638
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
4-chloro-N-[(2S)-3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 24536254
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide
CID 119724510
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119724509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide (CID 112819938) is 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide?
The InChIKey is HRPJBBZCUVBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-15(2)21(26-22(29)16-9-11-17(24)12-10-16)23(30)25-18-6-5-7-19(14-18)27-13-4-3-8-20(27)28/h5-7,9-12,14-15,21H,3-4,8,13H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide has a molecular weight of 427.93 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 112819938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).