(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide

C23H24ClN3O3 — CID 11604288

IUPAC(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H24ClN3O3/c24-17-7-9-18(10-8-17)25-23(30)20-3-1-14-27(20)22(29)15-16-5-11-19(12-6-16)26-13-2-4-21(26)28/h5-12,20H,1-4,13-15H2,(H,25,30)/t20-/m0/s1
InChIKeyRJLNDFLKGMKMSQ-FQEVSTJZSA-N
MW425.92 g/mol
LogP3.64
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide

(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 11604288) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
PubChem CID11604288
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H24ClN3O3/c24-17-7-9-18(10-8-17)25-23(30)20-3-1-14-27(20)22(29)15-16-5-11-19(12-6-16)26-13-2-4-21(26)28/h5-12,20H,1-4,13-15H2,(H,25,30)/t20-/m0/s1
InChIKeyRJLNDFLKGMKMSQ-FQEVSTJZSA-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

[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate
CID 67481818
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026013
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625911
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55675283
2-N-cyclopropyl-1-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 136577311
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide (CID 11604288) is (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is RJLNDFLKGMKMSQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-17-7-9-18(10-8-17)25-23(30)20-3-1-14-27(20)22(29)15-16-5-11-19(12-6-16)26-13-2-4-21(26)28/h5-12,20H,1-4,13-15H2,(H,25,30)/t20-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide?
(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide 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 (2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11604288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).