(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H19Cl2N3O2 — CID 126262377

IUPAC(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2=O)cc1C
InChIInChI=1S/C20H19Cl2N3O2/c1-12-3-5-16(7-13(12)2)25-11-15(9-19(25)26)20(27)24-23-10-14-4-6-17(21)18(22)8-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)/b23-10-/t15-/m1/s1
InChIKeyKJJVTPZHUOZYPO-VEKQOBIDSA-N
MW404.30 g/mol
LogP4.11
Rot. Bonds4

About (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 126262377) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID126262377
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2=O)cc1C
InChIInChI=1S/C20H19Cl2N3O2/c1-12-3-5-16(7-13(12)2)25-11-15(9-19(25)26)20(27)24-23-10-14-4-6-17(21)18(22)8-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)/b23-10-/t15-/m1/s1
InChIKeyKJJVTPZHUOZYPO-VEKQOBIDSA-N
XLogP4.11
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(Z)-benzylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159429
(3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126177741
(3R)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126178924
(3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7299635
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 126171787
(3S)-1-(3,4-dimethylphenyl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126265775
(3R)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126269211
N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 555109
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159471
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 2883750
(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258
N-(2-chloro-4,6-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186151

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 126262377) is (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2=O)cc1C.
What is the InChIKey of (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KJJVTPZHUOZYPO-VEKQOBIDSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-12-3-5-16(7-13(12)2)25-11-15(9-19(25)26)20(27)24-23-10-14-4-6-17(21)18(22)8-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)/b23-10-/t15-/m1/s1.
What are the key properties of (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126262377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).