(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide

C20H21ClN4O3 — CID 1468971

IUPAC(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H21ClN4O3/c1-13(26)22-16-7-3-8-17(12-16)23-19(27)18-9-4-10-25(18)20(28)24-15-6-2-5-14(21)11-15/h2-3,5-8,11-12,18H,4,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyMZOHTCLZINWKMD-SFHVURJKSA-N
MW400.87 g/mol
LogP3.93
Rot. Bonds4

About (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468971) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468971
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H21ClN4O3/c1-13(26)22-16-7-3-8-17(12-16)23-19(27)18-9-4-10-25(18)20(28)24-15-6-2-5-14(21)11-15/h2-3,5-8,11-12,18H,4,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyMZOHTCLZINWKMD-SFHVURJKSA-N
XLogP3.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734
(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
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
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
tert-butyl 2-[(3-acetamidophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 51149886
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
2-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3258483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide (CID 1468971) is (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide is CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MZOHTCLZINWKMD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-13(26)22-16-7-3-8-17(12-16)23-19(27)18-9-4-10-25(18)20(28)24-15-6-2-5-14(21)11-15/h2-3,5-8,11-12,18H,4,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t18-/m0/s1.
What are the key properties of (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).