(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

C20H26ClN3O4 — CID 95275224

IUPAC(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN1CCCC1=O
InChIInChI=1S/C20H26ClN3O4/c1-13(12-23-9-4-6-18(23)25)22-19(26)16-5-3-10-24(16)20(27)15-11-14(21)7-8-17(15)28-2/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3,(H,22,26)/t13-,16+/m0/s1
InChIKeyPEXINZJHNWEANJ-XJKSGUPXSA-N
MW407.90 g/mol
LogP2.08
Rot. Bonds6

About (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 95275224) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID95275224
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Name(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN1CCCC1=O
InChIInChI=1S/C20H26ClN3O4/c1-13(12-23-9-4-6-18(23)25)22-19(26)16-5-3-10-24(16)20(27)15-11-14(21)7-8-17(15)28-2/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3,(H,22,26)/t13-,16+/m0/s1
InChIKeyPEXINZJHNWEANJ-XJKSGUPXSA-N
XLogP2.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275225
(2S)-1-(3,5-dichlorobenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95288558
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 52530228
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 95271430
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide (CID 95275224) is (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN1CCCC1=O.
What is the InChIKey of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is PEXINZJHNWEANJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H26ClN3O4/c1-13(12-23-9-4-6-18(23)25)22-19(26)16-5-3-10-24(16)20(27)15-11-14(21)7-8-17(15)28-2/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3,(H,22,26)/t13-,16+/m0/s1.
What are the key properties of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide?
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95275224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).