(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H22ClN3O4 — CID 51508333

IUPAC(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O4/c1-27-16-9-4-10-17(28-2)18(16)23-19(25)15-8-5-11-24(15)20(26)22-14-7-3-6-13(21)12-14/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyCIQQCBHUAAYRKD-OAHLLOKOSA-N
MW403.87 g/mol
LogP3.99
Rot. Bonds5

About (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 51508333) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID51508333
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O4/c1-27-16-9-4-10-17(28-2)18(16)23-19(25)15-8-5-11-24(15)20(26)22-14-7-3-6-13(21)12-14/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyCIQQCBHUAAYRKD-OAHLLOKOSA-N
XLogP3.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 51508255
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 51508333) is (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is CIQQCBHUAAYRKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-27-16-9-4-10-17(28-2)18(16)23-19(25)15-8-5-11-24(15)20(26)22-14-7-3-6-13(21)12-14/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H,22,26)(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 403.87 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 51508333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).