(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O3 — CID 8701516

IUPAC(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H20ClN3O3/c1-13(25)22-16-6-8-17(9-7-16)23-20(27)15-10-19(26)24(12-15)11-14-4-2-3-5-18(14)21/h2-9,15H,10-12H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyXLKIGHMZONEQHK-OAHLLOKOSA-N
MW385.85 g/mol
LogP3.29
Rot. Bonds5

About (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 8701516) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID8701516
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H20ClN3O3/c1-13(25)22-16-6-8-17(9-7-16)23-20(27)15-10-19(26)24(12-15)11-14-4-2-3-5-18(14)21/h2-9,15H,10-12H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyXLKIGHMZONEQHK-OAHLLOKOSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8712834
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42651418
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52899170
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
N-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183219
1-[(2-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42651590
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 8701516) is (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XLKIGHMZONEQHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(25)22-16-6-8-17(9-7-16)23-20(27)15-10-19(26)24(12-15)11-14-4-2-3-5-18(14)21/h2-9,15H,10-12H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1.
What are the key properties of (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8701516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).