[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate

C23H24ClN3O4 — CID 67481818

IUPAC[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H24ClN3O4/c24-17-7-9-18(10-8-17)25-23(30)31-22-4-2-14-27(22)21(29)15-16-5-11-19(12-6-16)26-13-1-3-20(26)28/h5-12,22H,1-4,13-15H2,(H,25,30)/t22-/m1/s1
InChIKeyXQUVKAPRVQEVSM-JOCHJYFZSA-N
MW441.92 g/mol
LogP4.21
Rot. Bonds5

About [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate

[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate (PubChem CID 67481818) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate
PubChem CID67481818
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H24ClN3O4/c24-17-7-9-18(10-8-17)25-23(30)31-22-4-2-14-27(22)21(29)15-16-5-11-19(12-6-16)26-13-1-3-20(26)28/h5-12,22H,1-4,13-15H2,(H,25,30)/t22-/m1/s1
InChIKeyXQUVKAPRVQEVSM-JOCHJYFZSA-N
XLogP4.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 11604288
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
1-[4-[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 26703248
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9303488
4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30384728
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 56921121

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate (CID 67481818) is [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)O[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate?
The InChIKey is XQUVKAPRVQEVSM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c24-17-7-9-18(10-8-17)25-23(30)31-22-4-2-14-27(22)21(29)15-16-5-11-19(12-6-16)26-13-1-3-20(26)28/h5-12,22H,1-4,13-15H2,(H,25,30)/t22-/m1/s1.
What are the key properties of [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate?
[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate has a molecular weight of 441.92 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 67481818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).