4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide

C23H24ClN3O3 — CID 11177781

IUPAC4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c24-18-6-4-17(5-7-18)23(30)25-14-16-13-22(29)27(15-16)20-10-8-19(9-11-20)26-12-2-1-3-21(26)28/h4-11,16H,1-3,12-15H2,(H,25,30)
InChIKeyJIZGGHLBIAYFLX-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.64
Rot. Bonds5

About 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide

4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 11177781) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID11177781
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c24-18-6-4-17(5-7-18)23(30)25-14-16-13-22(29)27(15-16)20-10-8-19(9-11-20)26-12-2-1-3-21(26)28/h4-11,16H,1-3,12-15H2,(H,25,30)
InChIKeyJIZGGHLBIAYFLX-UHFFFAOYSA-N
XLogP3.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
CID 11225164
3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide
CID 18447636
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
5-chloro-N-[[(3S)-5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 70307360
3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 18447682
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16918866
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide (CID 11177781) is 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide is O=C(NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is JIZGGHLBIAYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-18-6-4-17(5-7-18)23(30)25-14-16-13-22(29)27(15-16)20-10-8-19(9-11-20)26-12-2-1-3-21(26)28/h4-11,16H,1-3,12-15H2,(H,25,30).
What are the key properties of 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 425.92 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 11177781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).