(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide

C20H22ClN3O2 — CID 1445734

IUPAC(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClN3O2/c1-2-14-8-10-16(11-9-14)22-19(25)18-7-4-12-24(18)20(26)23-17-6-3-5-15(21)13-17/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyJRJPDOMQZKYNQO-GOSISDBHSA-N
MW371.87 g/mol
LogP4.54
Rot. Bonds4

About (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1445734) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1445734
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H22ClN3O2/c1-2-14-8-10-16(11-9-14)22-19(25)18-7-4-12-24(18)20(26)23-17-6-3-5-15(21)13-17/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyJRJPDOMQZKYNQO-GOSISDBHSA-N
XLogP4.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51508333
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 51508255
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
tert-butyl (2R)-2-[(3-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 9138621
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide (CID 1445734) is (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide is CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JRJPDOMQZKYNQO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-14-8-10-16(11-9-14)22-19(25)18-7-4-12-24(18)20(26)23-17-6-3-5-15(21)13-17/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 371.87 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1445734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).