(3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O2 — CID 126177741

IUPAC(3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3Cl)CC2=O)cc1C
InChIInChI=1S/C20H20ClN3O2/c1-13-7-8-17(9-14(13)2)24-12-16(10-19(24)25)20(26)23-22-11-15-5-3-4-6-18(15)21/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)/b22-11-/t16-/m1/s1
InChIKeyBRZDJSUJPCBBJW-OLIBUNOHSA-N
MW369.85 g/mol
LogP3.46
Rot. Bonds4

About (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 126177741) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID126177741
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3Cl)CC2=O)cc1C
InChIInChI=1S/C20H20ClN3O2/c1-13-7-8-17(9-14(13)2)24-12-16(10-19(24)25)20(26)23-22-11-15-5-3-4-6-18(15)21/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)/b22-11-/t16-/m1/s1
InChIKeyBRZDJSUJPCBBJW-OLIBUNOHSA-N
XLogP3.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.46
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)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126178924
(3R)-N-[(Z)-benzylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159429
(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126262377
(3R)-1-(4-bromophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126162846
(3R)-N-[(E)-(2-chlorophenyl)methylideneamino]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126169970
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 126171787
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136794190
(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258
(3R)-1-(4-bromophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126273303
1-(3,4-dimethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2948276
N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 555109

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 126177741) is (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3Cl)CC2=O)cc1C.
What is the InChIKey of (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BRZDJSUJPCBBJW-OLIBUNOHSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-7-8-17(9-14(13)2)24-12-16(10-19(24)25)20(26)23-22-11-15-5-3-4-6-18(15)21/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)/b22-11-/t16-/m1/s1.
What are the key properties of (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126177741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).